2-butyl-2-ethenyloxirane

C8H14O — CID 87161857

IUPAC2-butyl-2-ethenyloxirane
SMILESC=CC1(CCCC)CO1
InChIInChI=1S/C8H14O/c1-3-5-6-8(4-2)7-9-8/h4H,2-3,5-7H2,1H3
InChIKeyHSTBMAGOCIXLHR-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.13
Rot. Bonds4

About 2-butyl-2-ethenyloxirane

2-butyl-2-ethenyloxirane (PubChem CID 87161857) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-butyl-2-ethenyloxirane.

Molecular Properties

Compound Name2-butyl-2-ethenyloxirane
PubChem CID87161857
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2-butyl-2-ethenyloxirane
SMILESC=CC1(CCCC)CO1
InChIInChI=1S/C8H14O/c1-3-5-6-8(4-2)7-9-8/h4H,2-3,5-7H2,1H3
InChIKeyHSTBMAGOCIXLHR-UHFFFAOYSA-N
XLogP2.13
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-Ethenyl-2-hexyloxirane
CID 57702305
Butylvinylather
CID 129628883
2-Methyl-1,2-epoxy-6-heptene
CID 10997038
2-Ethenyl-2-nonyloxirane
CID 11148283
2-Ethenyl-2-propyloxirane
CID 11423573
(2R)-2-ethenyl-2-hexyloxirane
CID 154718439
(3R)-2,2-dibutyl-3-ethenyloxirane
CID 154719468
2,2-Dibutyl-3-ethenyloxirane
CID 13003619
2-Ethenyl-2-ethyloxirane
CID 25209910
2-(2-Ethenyloxiran-2-yl)hex-1-en-1-one
CID 141490084
3-Methoxy-3-methylhept-1-ene
CID 153563801
(2S)-2-ethenyl-2-hexadecyloxirane
CID 11358364

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-ethenyloxirane?
The IUPAC name of 2-butyl-2-ethenyloxirane (CID 87161857) is 2-butyl-2-ethenyloxirane.
What is the SMILES notation for 2-butyl-2-ethenyloxirane?
The canonical SMILES for 2-butyl-2-ethenyloxirane is C=CC1(CCCC)CO1.
What is the InChIKey of 2-butyl-2-ethenyloxirane?
The InChIKey is HSTBMAGOCIXLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-3-5-6-8(4-2)7-9-8/h4H,2-3,5-7H2,1H3.
What are the key properties of 2-butyl-2-ethenyloxirane?
2-butyl-2-ethenyloxirane has a molecular weight of 126.20 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-ethenyloxirane is sourced from PubChem (CID 87161857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).