2-dec-9-enyl-3-pentyloxirane

C17H32O — CID 20847651

IUPAC2-dec-9-enyl-3-pentyloxirane
SMILESC=CCCCCCCCCC1OC1CCCCC
InChIInChI=1S/C17H32O/c1-3-5-7-8-9-10-11-13-15-17-16(18-17)14-12-6-4-2/h3,16-17H,1,4-15H2,2H3
InChIKeyYJZCGVFLYIWUQL-UHFFFAOYSA-N
MW252.44 g/mol
LogP5.64
Rot. Bonds13

About 2-dec-9-enyl-3-pentyloxirane

2-dec-9-enyl-3-pentyloxirane (PubChem CID 20847651) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 2-dec-9-enyl-3-pentyloxirane.

Molecular Properties

Compound Name2-dec-9-enyl-3-pentyloxirane
PubChem CID20847651
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name2-dec-9-enyl-3-pentyloxirane
SMILESC=CCCCCCCCCC1OC1CCCCC
InChIInChI=1S/C17H32O/c1-3-5-7-8-9-10-11-13-15-17-16(18-17)14-12-6-4-2/h3,16-17H,1,4-15H2,2H3
InChIKeyYJZCGVFLYIWUQL-UHFFFAOYSA-N
XLogP5.64
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Oxirane, 5-hexenyl-
CID 29678
(7-Octenyl)oxirane
CID 543758
17-Oxabicyclo[14.1.0]heptadec-8-ene
CID 19838536
1,2-Epoxy-cyclohexadec-9-ene
CID 54230859
17-Oxabicyclo(14.1.0)heptadec-8-ene
CID 56841879
Oxirane, 2-(((9Z)-9-octadecen-1-yloxy)methyl)-
CID 6435878
9R,10S-Epoxy-3Z,6Z-heneicosadiene
CID 11833742
(R)-(+)-1,2-Epoxy-9-decene
CID 7018005
2-Dodec-11-enyloxirane
CID 5743593
9R,10S-Epoxy-6Z-heneicosene
CID 11809018
(7R,8S)-cis-7,8-epoxy-2-methyloctadec-17-ene
CID 56936246
(2R,3R)-2-dec-9-enyl-3-pentyloxirane
CID 162959353

Frequently Asked Questions

What is the IUPAC name of 2-dec-9-enyl-3-pentyloxirane?
The IUPAC name of 2-dec-9-enyl-3-pentyloxirane (CID 20847651) is 2-dec-9-enyl-3-pentyloxirane.
What is the SMILES notation for 2-dec-9-enyl-3-pentyloxirane?
The canonical SMILES for 2-dec-9-enyl-3-pentyloxirane is C=CCCCCCCCCC1OC1CCCCC.
What is the InChIKey of 2-dec-9-enyl-3-pentyloxirane?
The InChIKey is YJZCGVFLYIWUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O/c1-3-5-7-8-9-10-11-13-15-17-16(18-17)14-12-6-4-2/h3,16-17H,1,4-15H2,2H3.
What are the key properties of 2-dec-9-enyl-3-pentyloxirane?
2-dec-9-enyl-3-pentyloxirane has a molecular weight of 252.44 g/mol, XLogP of 5.64, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dec-9-enyl-3-pentyloxirane is sourced from PubChem (CID 20847651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).