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DHM : Summary

Code

DHM

One-letter code

X

Molecule name

2,6-DIMETHYL-7-OCTEN-2-OL

Systematic names

ProgramVersionName
ACDLabs 10.04 (6R)-2,6-dimethyloct-7-en-2-ol
OpenEye OEToolkits 1.5.0 (6R)-2,6-dimethyloct-7-en-2-ol

Formula

C10 H20 O

Formal charge

0

Molecular weight

156.265 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OC(C)(C)CCCC(\C=C)C
SMILES CACTVS 3.341 C[CH](CCCC(C)(C)O)C=C
SMILES OpenEye OEToolkits 1.5.0 CC(CCCC(C)(C)O)C=C
Canonical SMILES CACTVS 3.341 C[C@H](CCCC(C)(C)O)C=C
Canonical SMILES OpenEye OEToolkits 1.5.0 C[C@H](CCCC(C)(C)O)C=C

IUPAC InChI

InChI=1S/C10H20O/c1-5-9(2)7-6-8-10(3,4)11/h5,9,11H,1,6-8H2,2-4H3/t9-/m0/s1

IUPAC InChI key

XSNQECSCDATQEL-VIFPVBQESA-N
DHM

wwPDB Information

Atom count

31 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-03-13

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned