2-(2,2-dimethylbut-3-enyl)oxirane

C8H14O — CID 14680131

IUPAC2-(2,2-dimethylbut-3-enyl)oxirane
SMILESC=CC(C)(C)CC1CO1
InChIInChI=1S/C8H14O/c1-4-8(2,3)5-7-6-9-7/h4,7H,1,5-6H2,2-3H3
InChIKeyKAESCQLCNIGMQS-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.99
Rot. Bonds3

About 2-(2,2-dimethylbut-3-enyl)oxirane

2-(2,2-dimethylbut-3-enyl)oxirane (PubChem CID 14680131) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-(2,2-dimethylbut-3-enyl)oxirane.

Molecular Properties

Compound Name2-(2,2-dimethylbut-3-enyl)oxirane
PubChem CID14680131
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2-(2,2-dimethylbut-3-enyl)oxirane
SMILESC=CC(C)(C)CC1CO1
InChIInChI=1S/C8H14O/c1-4-8(2,3)5-7-6-9-7/h4,7H,1,5-6H2,2-3H3
InChIKeyKAESCQLCNIGMQS-UHFFFAOYSA-N
XLogP1.99
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylbut-3-enyl)oxirane?
The IUPAC name of 2-(2,2-dimethylbut-3-enyl)oxirane (CID 14680131) is 2-(2,2-dimethylbut-3-enyl)oxirane.
What is the SMILES notation for 2-(2,2-dimethylbut-3-enyl)oxirane?
The canonical SMILES for 2-(2,2-dimethylbut-3-enyl)oxirane is C=CC(C)(C)CC1CO1.
What is the InChIKey of 2-(2,2-dimethylbut-3-enyl)oxirane?
The InChIKey is KAESCQLCNIGMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-4-8(2,3)5-7-6-9-7/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 2-(2,2-dimethylbut-3-enyl)oxirane?
2-(2,2-dimethylbut-3-enyl)oxirane has a molecular weight of 126.20 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylbut-3-enyl)oxirane is sourced from PubChem (CID 14680131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).