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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:87597 - 1,3-dioxolane
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ChEBI Name
1,3-dioxolane
ChEBI ID
CHEBI:87597
Definition
A cyclic acetal that is pentane in which the carbon atoms at positions 1 and 3 are replaced by oxygen atoms respectively.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C3H6O2
Net Charge
0
Average Mass
74.07850
Monoisotopic Mass
74.03678
InChI
InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2
InChIKey
WNXJIVFYUVYPPR-UHFFFAOYSA-N
SMILES
C1COCO1
ChEBI Ontology
Outgoing
1,3-dioxolane (
CHEBI:87597
)
is a
cyclic acetal (
CHEBI:59770
)
1,3-dioxolane (
CHEBI:87597
)
is a
dioxolane (
CHEBI:39430
)
Incoming
2-(1-phenylethyl)-1,3-dioxolane (
CHEBI:87596
)
has parent hydride
1,3-dioxolane (
CHEBI:87597
)
2-(4-bromo-6,6,6-trichloro-2-methyl-2-hexanyl)-1,3-dioxolane (
CHEBI:131193
)
has parent hydride
1,3-dioxolane (
CHEBI:87597
)
2-(6-heptynyl)-1,3-dioxolane (
CHEBI:131334
)
has parent hydride
1,3-dioxolane (
CHEBI:87597
)
2-
sec
-butyl-1,3-dioxolane (
CHEBI:131333
)
has parent hydride
1,3-dioxolane (
CHEBI:87597
)
2-[2-(2-methoxyethoxy)ethoxy]-1,3-dioxolane (
CHEBI:131197
)
has parent hydride
1,3-dioxolane (
CHEBI:87597
)
2-isopropyl-1,3-dioxolane (
CHEBI:87317
)
has parent hydride
1,3-dioxolane (
CHEBI:87597
)
IUPAC Name
1,3-dioxolane
Synonyms
Sources
1,3-dioxacyclopentane
ChEBI
Formal glycol
ChemIDplus
Glycol methylene ether
ChemIDplus
Manual Xref
Database
Dioxolane
Wikipedia
View more database links
Registry Numbers
Types
Sources
102453
Reaxys Registry Number
Reaxys
646-06-0
CAS Registry Number
ChemIDplus
646-06-0
CAS Registry Number
NIST Chemistry WebBook
Last Modified
27 July 2016