1,3-dioxolan-2-one;hydrate

C3H6O4 — CID 67420962

IUPAC1,3-dioxolan-2-one;hydrate
SMILESO.O=C1OCCO1
InChIInChI=1S/C3H4O3.H2O/c4-3-5-1-2-6-3;/h1-2H2;1H2
InChIKeyLTSCTHUCRBEPEX-UHFFFAOYSA-N
MW106.08 g/mol
LogP-0.67
Rot. Bonds

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

1,3-dioxolan-2-one;hydrate (PubChem CID 67420962) has the molecular formula C3H6O4 and a molecular weight of 106.08 g/mol. Its IUPAC name is 1,3-dioxolan-2-one;hydrate.

Molecular Properties

Compound Name1,3-dioxolan-2-one;hydrate
PubChem CID67420962
Molecular FormulaC3H6O4
Molecular Weight106.08 g/mol
Exact Mass106.03
IUPAC Name1,3-dioxolan-2-one;hydrate
SMILESO.O=C1OCCO1
InChIInChI=1S/C3H4O3.H2O/c4-3-5-1-2-6-3;/h1-2H2;1H2
InChIKeyLTSCTHUCRBEPEX-UHFFFAOYSA-N
XLogP-0.67
TPSA67.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.08
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dioxolan-2-one;hydrate?
The IUPAC name of 1,3-dioxolan-2-one;hydrate (CID 67420962) is 1,3-dioxolan-2-one;hydrate.
What is the SMILES notation for 1,3-dioxolan-2-one;hydrate?
The canonical SMILES for 1,3-dioxolan-2-one;hydrate is O.O=C1OCCO1.
What is the InChIKey of 1,3-dioxolan-2-one;hydrate?
The InChIKey is LTSCTHUCRBEPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O3.H2O/c4-3-5-1-2-6-3;/h1-2H2;1H2.
What are the key properties of 1,3-dioxolan-2-one;hydrate?
1,3-dioxolan-2-one;hydrate has a molecular weight of 106.08 g/mol, XLogP of -0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolan-2-one;hydrate is sourced from PubChem (CID 67420962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).