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C6H12O2
APtclcactv04242512303D 0   0.00000     0.00000
 
 20 20  0  0  0  0  0  0  0  0999 V2000
    2.6520    0.1815   -0.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4161   -1.8331    0.4407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7454    1.6732   -0.3959 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2263   -0.1439    0.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8637   -0.6891   -0.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9197    0.6381    0.3707 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4539    1.0680    0.4729 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5370   -0.8997   -0.6874 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2418   -0.6961    1.2716 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1294    0.8225    0.6232 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2208   -0.7427   -0.2194 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6214    0.6966   -1.0781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4247   -0.6060   -1.3428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8544   -1.8956    1.3727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4671   -1.6469    0.6617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3203   -2.7719   -0.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3408    0.4756    1.3628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7598    1.2989   -0.5339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7757    2.6047    0.1694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2891    1.8535   -1.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  7  1  0  0  0  0
  1  4  1  0  0  0  0
  4  8  1  0  0  0  0
  5  8  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  3  6  1  0  0  0  0
  4  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  5 13  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  6 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
M  END
$$$$

MOL SMILES InChIKey

Compound Description

A dioxolane that is 1,3-dioxolane substituted by methyl groups at positions 2, 4 and 5 respectively.

Identification

IUPAC Names

2,4,5-trimethyl-1,3-dioxolane

Molecular Formula

C6H12O2

Mass

116.15830

Monoisotopic Mass

116.08373

Charge

InChI

InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7-4/h4-6H,1-3H3

InChIKey

HLEXJAVJCZLRTH-UHFFFAOYSA-N

SMILES

CC1OC(C)C(C)O1

Species

starmerella bacillaris

vitis vinifera

mock community culture

MTBLS3129

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MTBLC87572: 2,4,5-trimethyl-1,3-dioxolane

A dioxolane that is 1,3-dioxolane substituted by methyl groups at positions 2, 4 and 5 respectively.

Identification

Species

Europe PubMed Central results

Connect to another EMBL location

MTBLC87572: 2,4,5-trimethyl-1,3-dioxolane

A dioxolane that is 1,3-dioxolane substituted by methyl groups at positions 2, 4 and 5 respectively.

Identification

Species

Europe PubMed Central results