3-ethenylidene-5,5-dimethyloxolan-2-one

C8H10O2 — CID 134976971

IUPAC3-ethenylidene-5,5-dimethyloxolan-2-one
SMILESC=C=C1CC(C)(C)OC1=O
InChIInChI=1S/C8H10O2/c1-4-6-5-8(2,3)10-7(6)9/h1,5H2,2-3H3
InChIKeyUJCYTNKNRYXPHB-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.42
Rot. Bonds

About 3-ethenylidene-5,5-dimethyloxolan-2-one

3-ethenylidene-5,5-dimethyloxolan-2-one (PubChem CID 134976971) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-ethenylidene-5,5-dimethyloxolan-2-one.

Molecular Properties

Compound Name3-ethenylidene-5,5-dimethyloxolan-2-one
PubChem CID134976971
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name3-ethenylidene-5,5-dimethyloxolan-2-one
SMILESC=C=C1CC(C)(C)OC1=O
InChIInChI=1S/C8H10O2/c1-4-6-5-8(2,3)10-7(6)9/h1,5H2,2-3H3
InChIKeyUJCYTNKNRYXPHB-UHFFFAOYSA-N
XLogP1.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethenylidene-5,5-dimethyloxolan-2-one?
The IUPAC name of 3-ethenylidene-5,5-dimethyloxolan-2-one (CID 134976971) is 3-ethenylidene-5,5-dimethyloxolan-2-one.
What is the SMILES notation for 3-ethenylidene-5,5-dimethyloxolan-2-one?
The canonical SMILES for 3-ethenylidene-5,5-dimethyloxolan-2-one is C=C=C1CC(C)(C)OC1=O.
What is the InChIKey of 3-ethenylidene-5,5-dimethyloxolan-2-one?
The InChIKey is UJCYTNKNRYXPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-4-6-5-8(2,3)10-7(6)9/h1,5H2,2-3H3.
What are the key properties of 3-ethenylidene-5,5-dimethyloxolan-2-one?
3-ethenylidene-5,5-dimethyloxolan-2-one has a molecular weight of 138.17 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylidene-5,5-dimethyloxolan-2-one is sourced from PubChem (CID 134976971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).