dioxolane;oxolane

C7H14O3 — CID 174271510

IUPACdioxolane;oxolane
SMILESC1CCOC1.C1COOC1
InChIInChI=1S/C4H8O.C3H6O2/c2*1-2-4-5-3-1/h1-4H2;1-3H2
InChIKeyXICPNCNEHXNODU-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.14
Rot. Bonds

About dioxolane;oxolane

dioxolane;oxolane (PubChem CID 174271510) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is dioxolane;oxolane.

Molecular Properties

Compound Namedioxolane;oxolane
PubChem CID174271510
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Namedioxolane;oxolane
SMILESC1CCOC1.C1COOC1
InChIInChI=1S/C4H8O.C3H6O2/c2*1-2-4-5-3-1/h1-4H2;1-3H2
InChIKeyXICPNCNEHXNODU-UHFFFAOYSA-N
XLogP1.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.14
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 dioxolane;oxolane?
The IUPAC name of dioxolane;oxolane (CID 174271510) is dioxolane;oxolane.
What is the SMILES notation for dioxolane;oxolane?
The canonical SMILES for dioxolane;oxolane is C1CCOC1.C1COOC1.
What is the InChIKey of dioxolane;oxolane?
The InChIKey is XICPNCNEHXNODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C3H6O2/c2*1-2-4-5-3-1/h1-4H2;1-3H2.
What are the key properties of dioxolane;oxolane?
dioxolane;oxolane has a molecular weight of 146.19 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dioxolane;oxolane is sourced from PubChem (CID 174271510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).