1,3-dioxolane;hydrate

C3H8O3 — CID 67004557

IUPAC1,3-dioxolane;hydrate
SMILESC1COCO1.O
InChIInChI=1S/C3H6O2.H2O/c1-2-5-3-4-1;/h1-3H2;1H2
InChIKeyKWXNSDHYSPNVBM-UHFFFAOYSA-N
MW92.09 g/mol
LogP-0.83
Rot. Bonds

About 1,3-dioxolane;hydrate

1,3-dioxolane;hydrate (PubChem CID 67004557) has the molecular formula C3H8O3 and a molecular weight of 92.09 g/mol. Its IUPAC name is 1,3-dioxolane;hydrate.

Molecular Properties

Compound Name1,3-dioxolane;hydrate
PubChem CID67004557
Molecular FormulaC3H8O3
Molecular Weight92.09 g/mol
Exact Mass92.05
IUPAC Name1,3-dioxolane;hydrate
SMILESC1COCO1.O
InChIInChI=1S/C3H6O2.H2O/c1-2-5-3-4-1;/h1-3H2;1H2
InChIKeyKWXNSDHYSPNVBM-UHFFFAOYSA-N
XLogP-0.83
TPSA49.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.09
LogP ≤ 5-0.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Dioxolane
CID 12586
2-Methoxy-1,3-dioxolane
CID 29744
2-Ethoxy-1,3-dioxolane
CID 643066
1,3-Dioxolan-2-ol
CID 19387465
2,2-Dideutero-1,3-dioxolane
CID 23260875
CID 13101938
CID 13101938
1,3-Dioxolane-2-peroxol
CID 13628499
CID 14603924
CID 14603924
1,3-Dioxolan hydrochloride
CID 20088706
2-(Trioxidanyl)-1,3-dioxolane
CID 13492419
1-Methyl-1,3-dioxolan-1-ium
CID 86164266
Bis(1,3-dioxolane);hydrate
CID 18551938

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxolane;hydrate?
The IUPAC name of 1,3-dioxolane;hydrate (CID 67004557) is 1,3-dioxolane;hydrate.
What is the SMILES notation for 1,3-dioxolane;hydrate?
The canonical SMILES for 1,3-dioxolane;hydrate is C1COCO1.O.
What is the InChIKey of 1,3-dioxolane;hydrate?
The InChIKey is KWXNSDHYSPNVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.H2O/c1-2-5-3-4-1;/h1-3H2;1H2.
What are the key properties of 1,3-dioxolane;hydrate?
1,3-dioxolane;hydrate has a molecular weight of 92.09 g/mol, XLogP of -0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolane;hydrate is sourced from PubChem (CID 67004557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).