3-(oxolan-2-yl)dioxolane

C7H12O3 — CID 22111450

IUPAC3-(oxolan-2-yl)dioxolane
SMILESC1COC(C2CCOO2)C1
InChIInChI=1S/C7H12O3/c1-2-6(8-4-1)7-3-5-9-10-7/h6-7H,1-5H2
InChIKeyNHHVFVWSWJQOJV-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.89
Rot. Bonds1

About 3-(oxolan-2-yl)dioxolane

3-(oxolan-2-yl)dioxolane (PubChem CID 22111450) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-(oxolan-2-yl)dioxolane.

Molecular Properties

Compound Name3-(oxolan-2-yl)dioxolane
PubChem CID22111450
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name3-(oxolan-2-yl)dioxolane
SMILESC1COC(C2CCOO2)C1
InChIInChI=1S/C7H12O3/c1-2-6(8-4-1)7-3-5-9-10-7/h6-7H,1-5H2
InChIKeyNHHVFVWSWJQOJV-UHFFFAOYSA-N
XLogP0.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)dioxolane?
The IUPAC name of 3-(oxolan-2-yl)dioxolane (CID 22111450) is 3-(oxolan-2-yl)dioxolane.
What is the SMILES notation for 3-(oxolan-2-yl)dioxolane?
The canonical SMILES for 3-(oxolan-2-yl)dioxolane is C1COC(C2CCOO2)C1.
What is the InChIKey of 3-(oxolan-2-yl)dioxolane?
The InChIKey is NHHVFVWSWJQOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-2-6(8-4-1)7-3-5-9-10-7/h6-7H,1-5H2.
What are the key properties of 3-(oxolan-2-yl)dioxolane?
3-(oxolan-2-yl)dioxolane has a molecular weight of 144.17 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)dioxolane is sourced from PubChem (CID 22111450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).