1,3-dioxolane;1,3-dioxolan-2-one

C6H10O5 — CID 160802648

IUPAC1,3-dioxolane;1,3-dioxolan-2-one
SMILESC1COCO1.O=C1OCCO1
InChIInChI=1S/C3H4O3.C3H6O2/c4-3-5-1-2-6-3;1-2-5-3-4-1/h1-2H2;1-3H2
InChIKeySDHBCPDOHODDKR-UHFFFAOYSA-N
MW162.14 g/mol
LogP0.14
Rot. Bonds

About 1,3-dioxolane;1,3-dioxolan-2-one

1,3-dioxolane;1,3-dioxolan-2-one (PubChem CID 160802648) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is 1,3-dioxolane;1,3-dioxolan-2-one.

Molecular Properties

Compound Name1,3-dioxolane;1,3-dioxolan-2-one
PubChem CID160802648
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name1,3-dioxolane;1,3-dioxolan-2-one
SMILESC1COCO1.O=C1OCCO1
InChIInChI=1S/C3H4O3.C3H6O2/c4-3-5-1-2-6-3;1-2-5-3-4-1/h1-2H2;1-3H2
InChIKeySDHBCPDOHODDKR-UHFFFAOYSA-N
XLogP0.14
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dioxolan-2-one
CID 7303
lithium;1,3-dioxolan-2-one;hexafluorophosphate
CID 146442279
1,3,6,8-tetraoxecane
CID 19993864
1,3,8,10-tetraoxacyclotetradecane-2,9-dione
CID 67254769
bis(1,3-dioxan-2-one);bis(1,4-dioxan-2-one)
CID 160760292
1,3,7-trioxecan-2-one
CID 155605643
adamantane;1,3-dioxolan-2-one
CID 175094584
1,3-dioxolan-2-one;ethane;propane
CID 91581016
1,3-dioxolan-2-one;methoxymethane;hydrochloride
CID 173350365
1,3-dioxacyclotetradecan-2-one
CID 22011560
1,4-dioxane;1,4-dioxane-2,3-dione
CID 159785503
acetonitrile;1,3-dioxolan-2-one
CID 69295192

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxolane;1,3-dioxolan-2-one?
The IUPAC name of 1,3-dioxolane;1,3-dioxolan-2-one (CID 160802648) is 1,3-dioxolane;1,3-dioxolan-2-one.
What is the SMILES notation for 1,3-dioxolane;1,3-dioxolan-2-one?
The canonical SMILES for 1,3-dioxolane;1,3-dioxolan-2-one is C1COCO1.O=C1OCCO1.
What is the InChIKey of 1,3-dioxolane;1,3-dioxolan-2-one?
The InChIKey is SDHBCPDOHODDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O3.C3H6O2/c4-3-5-1-2-6-3;1-2-5-3-4-1/h1-2H2;1-3H2.
What are the key properties of 1,3-dioxolane;1,3-dioxolan-2-one?
1,3-dioxolane;1,3-dioxolan-2-one has a molecular weight of 162.14 g/mol, XLogP of 0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolane;1,3-dioxolan-2-one is sourced from PubChem (CID 160802648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).