1,3-dioxolan-2-ol

C3H6O3 — CID 19387465

IUPAC1,3-dioxolan-2-ol
SMILESOC1OCCO1
InChIInChI=1S/C3H6O3/c4-3-5-1-2-6-3/h3-4H,1-2H2
InChIKeyVOZDABZCYIIVTM-UHFFFAOYSA-N
MW90.08 g/mol
LogP-0.69
Rot. Bonds

About 1,3-dioxolan-2-ol

1,3-dioxolan-2-ol (PubChem CID 19387465) has the molecular formula C3H6O3 and a molecular weight of 90.08 g/mol. Its IUPAC name is 1,3-dioxolan-2-ol.

Molecular Properties

Compound Name1,3-dioxolan-2-ol
PubChem CID19387465
Molecular FormulaC3H6O3
Molecular Weight90.08 g/mol
Exact Mass90.03
IUPAC Name1,3-dioxolan-2-ol
SMILESOC1OCCO1
InChIInChI=1S/C3H6O3/c4-3-5-1-2-6-3/h3-4H,1-2H2
InChIKeyVOZDABZCYIIVTM-UHFFFAOYSA-N
XLogP-0.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.08
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dioxolan-2-ol?
The IUPAC name of 1,3-dioxolan-2-ol (CID 19387465) is 1,3-dioxolan-2-ol.
What is the SMILES notation for 1,3-dioxolan-2-ol?
The canonical SMILES for 1,3-dioxolan-2-ol is OC1OCCO1.
What is the InChIKey of 1,3-dioxolan-2-ol?
The InChIKey is VOZDABZCYIIVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3/c4-3-5-1-2-6-3/h3-4H,1-2H2.
What are the key properties of 1,3-dioxolan-2-ol?
1,3-dioxolan-2-ol has a molecular weight of 90.08 g/mol, XLogP of -0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolan-2-ol is sourced from PubChem (CID 19387465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).