2-(2,2-dimethylpent-4-enyl)oxirane

C9H16O — CID 86072239

IUPAC2-(2,2-dimethylpent-4-enyl)oxirane
SMILESC=CCC(C)(C)CC1CO1
InChIInChI=1S/C9H16O/c1-4-5-9(2,3)6-8-7-10-8/h4,8H,1,5-7H2,2-3H3
InChIKeyZBJQIUJRQZVCOI-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.38
Rot. Bonds4

About 2-(2,2-dimethylpent-4-enyl)oxirane

2-(2,2-dimethylpent-4-enyl)oxirane (PubChem CID 86072239) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-(2,2-dimethylpent-4-enyl)oxirane.

Molecular Properties

Compound Name2-(2,2-dimethylpent-4-enyl)oxirane
PubChem CID86072239
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-(2,2-dimethylpent-4-enyl)oxirane
SMILESC=CCC(C)(C)CC1CO1
InChIInChI=1S/C9H16O/c1-4-5-9(2,3)6-8-7-10-8/h4,8H,1,5-7H2,2-3H3
InChIKeyZBJQIUJRQZVCOI-UHFFFAOYSA-N
XLogP2.38
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.38
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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Related Compounds

2-(2,2-Dimethylbut-3-enyl)oxirane
CID 14680131
2-(2-Methylpent-4-en-2-yl)oxirane
CID 10772985
2-(2-Methylpent-4-enyl)oxirane
CID 59365101
2-(4-Propan-2-ylhepta-1,6-dien-4-yl)oxirane
CID 85987838
2-[(1-Prop-2-enylcyclopropyl)methyl]oxirane
CID 86072244
2-Methyl-1,2-epoxy-6-heptene
CID 10997038
2-(2,2-Diethylpent-4-enyl)oxirane
CID 135036656
2-Ethoxy-1,1-bis(prop-2-enyl)cyclopropane
CID 332841
2-(2-Methyl-2-prop-2-enylpent-4-enyl)oxirane
CID 86072221
2-(2-Ethylbut-3-enyl)oxirane
CID 18175685
6-(Methoxymethyl)-6-methylundeca-1,10-diene
CID 21966278
2-Methyl-2-(2,2,4,4-tetramethylhept-6-enyl)oxirane
CID 22712633

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpent-4-enyl)oxirane?
The IUPAC name of 2-(2,2-dimethylpent-4-enyl)oxirane (CID 86072239) is 2-(2,2-dimethylpent-4-enyl)oxirane.
What is the SMILES notation for 2-(2,2-dimethylpent-4-enyl)oxirane?
The canonical SMILES for 2-(2,2-dimethylpent-4-enyl)oxirane is C=CCC(C)(C)CC1CO1.
What is the InChIKey of 2-(2,2-dimethylpent-4-enyl)oxirane?
The InChIKey is ZBJQIUJRQZVCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-4-5-9(2,3)6-8-7-10-8/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 2-(2,2-dimethylpent-4-enyl)oxirane?
2-(2,2-dimethylpent-4-enyl)oxirane has a molecular weight of 140.23 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpent-4-enyl)oxirane is sourced from PubChem (CID 86072239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).