3-ethenyl-2,2-dimethyloxolane

C8H14O — CID 70126391

IUPAC3-ethenyl-2,2-dimethyloxolane
SMILESC=CC1CCOC1(C)C
InChIInChI=1S/C8H14O/c1-4-7-5-6-9-8(7,2)3/h4,7H,1,5-6H2,2-3H3
InChIKeyLEMZHWLBLMBBTO-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.99
Rot. Bonds1

About 3-ethenyl-2,2-dimethyloxolane

3-ethenyl-2,2-dimethyloxolane (PubChem CID 70126391) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-ethenyl-2,2-dimethyloxolane.

Molecular Properties

Compound Name3-ethenyl-2,2-dimethyloxolane
PubChem CID70126391
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name3-ethenyl-2,2-dimethyloxolane
SMILESC=CC1CCOC1(C)C
InChIInChI=1S/C8H14O/c1-4-7-5-6-9-8(7,2)3/h4,7H,1,5-6H2,2-3H3
InChIKeyLEMZHWLBLMBBTO-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 3-ethenyl-2,2-dimethyloxolane?
The IUPAC name of 3-ethenyl-2,2-dimethyloxolane (CID 70126391) is 3-ethenyl-2,2-dimethyloxolane.
What is the SMILES notation for 3-ethenyl-2,2-dimethyloxolane?
The canonical SMILES for 3-ethenyl-2,2-dimethyloxolane is C=CC1CCOC1(C)C.
What is the InChIKey of 3-ethenyl-2,2-dimethyloxolane?
The InChIKey is LEMZHWLBLMBBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-4-7-5-6-9-8(7,2)3/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 3-ethenyl-2,2-dimethyloxolane?
3-ethenyl-2,2-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 3-ethenyl-2,2-dimethyloxolane is sourced from PubChem (CID 70126391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).