2-ethenyl-2,5-dimethyloxolane

C8H14O — CID 12735920

IUPAC2-ethenyl-2,5-dimethyloxolane
SMILESC=CC1(C)CCC(C)O1
InChIInChI=1S/C8H14O/c1-4-8(3)6-5-7(2)9-8/h4,7H,1,5-6H2,2-3H3
InChIKeyUZNFMVFUQYWYET-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.13
Rot. Bonds1

About 2-ethenyl-2,5-dimethyloxolane

2-ethenyl-2,5-dimethyloxolane (PubChem CID 12735920) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-ethenyl-2,5-dimethyloxolane.

Molecular Properties

Compound Name2-ethenyl-2,5-dimethyloxolane
PubChem CID12735920
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2-ethenyl-2,5-dimethyloxolane
SMILESC=CC1(C)CCC(C)O1
InChIInChI=1S/C8H14O/c1-4-8(3)6-5-7(2)9-8/h4,7H,1,5-6H2,2-3H3
InChIKeyUZNFMVFUQYWYET-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
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-2,5-dimethyloxolane?
The IUPAC name of 2-ethenyl-2,5-dimethyloxolane (CID 12735920) is 2-ethenyl-2,5-dimethyloxolane.
What is the SMILES notation for 2-ethenyl-2,5-dimethyloxolane?
The canonical SMILES for 2-ethenyl-2,5-dimethyloxolane is C=CC1(C)CCC(C)O1.
What is the InChIKey of 2-ethenyl-2,5-dimethyloxolane?
The InChIKey is UZNFMVFUQYWYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-4-8(3)6-5-7(2)9-8/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 2-ethenyl-2,5-dimethyloxolane?
2-ethenyl-2,5-dimethyloxolane has a molecular weight of 126.20 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2,5-dimethyloxolane is sourced from PubChem (CID 12735920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).