2-ethenyl-4,4-dimethyloxolane

C8H14O — CID 14907900

IUPAC2-ethenyl-4,4-dimethyloxolane
SMILESC=CC1CC(C)(C)CO1
InChIInChI=1S/C8H14O/c1-4-7-5-8(2,3)6-9-7/h4,7H,1,5-6H2,2-3H3
InChIKeyURBZCLVAMLDUFR-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.99
Rot. Bonds1

About 2-ethenyl-4,4-dimethyloxolane

2-ethenyl-4,4-dimethyloxolane (PubChem CID 14907900) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-ethenyl-4,4-dimethyloxolane.

Molecular Properties

Compound Name2-ethenyl-4,4-dimethyloxolane
PubChem CID14907900
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2-ethenyl-4,4-dimethyloxolane
SMILESC=CC1CC(C)(C)CO1
InChIInChI=1S/C8H14O/c1-4-7-5-8(2,3)6-9-7/h4,7H,1,5-6H2,2-3H3
InChIKeyURBZCLVAMLDUFR-UHFFFAOYSA-N
XLogP1.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4,4-dimethyloxolane?
The IUPAC name of 2-ethenyl-4,4-dimethyloxolane (CID 14907900) is 2-ethenyl-4,4-dimethyloxolane.
What is the SMILES notation for 2-ethenyl-4,4-dimethyloxolane?
The canonical SMILES for 2-ethenyl-4,4-dimethyloxolane is C=CC1CC(C)(C)CO1.
What is the InChIKey of 2-ethenyl-4,4-dimethyloxolane?
The InChIKey is URBZCLVAMLDUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-4-7-5-8(2,3)6-9-7/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 2-ethenyl-4,4-dimethyloxolane?
2-ethenyl-4,4-dimethyloxolane has a molecular weight of 126.20 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4,4-dimethyloxolane is sourced from PubChem (CID 14907900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).