(2R,3S)-2-[(Z)-dodec-2-enyl]-3-pentyloxirane

C19H36O — CID 15708146

IUPAC(2R,3S)-2-[(Z)-dodec-2-enyl]-3-pentyloxirane
SMILESCCCCCCCCC/C=C\C[C@H]1O[C@H]1CCCCC
InChIInChI=1S/C19H36O/c1-3-5-7-8-9-10-11-12-13-15-17-19-18(20-19)16-14-6-4-2/h13,15,18-19H,3-12,14,16-17H2,1-2H3/b15-13-/t18-,19+/m0/s1
InChIKeyOFKABGGYCLPLTM-GCAXBUKTSA-N
MW280.50 g/mol
LogP6.42
Rot. Bonds14

About (2R,3S)-2-[(Z)-dodec-2-enyl]-3-pentyloxirane

(2R,3S)-2-[(Z)-dodec-2-enyl]-3-pentyloxirane (PubChem CID 15708146) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is (2R,3S)-2-[(Z)-dodec-2-enyl]-3-pentyloxirane.

Molecular Properties

Compound Name(2R,3S)-2-[(Z)-dodec-2-enyl]-3-pentyloxirane
PubChem CID15708146
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name(2R,3S)-2-[(Z)-dodec-2-enyl]-3-pentyloxirane
SMILESCCCCCCCCC/C=C\C[C@H]1O[C@H]1CCCCC
InChIInChI=1S/C19H36O/c1-3-5-7-8-9-10-11-12-13-15-17-19-18(20-19)16-14-6-4-2/h13,15,18-19H,3-12,14,16-17H2,1-2H3/b15-13-/t18-,19+/m0/s1
InChIKeyOFKABGGYCLPLTM-GCAXBUKTSA-N
XLogP6.42
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 56.42
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'}

Analyze (2R,3S)-2-[(Z)-dodec-2-enyl]-3-pentyloxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-Epoxy-5,9-cyclododecadiene
CID 5357430
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
trans-11S,12S-Epoxy-6Z,9Z-heneicosadiene
CID 10494907
9R,10S-Epoxy-3Z,6Z-heneicosadiene
CID 11833742
6R,7S-Epoxy-3Z,9Z-nonadecadiene
CID 14699897
9,10-Epoxy-1,5-cyclododecadiene
CID 6025413
9R,10S-Epoxy-6Z-heneicosene
CID 11809018
3S,4R-epoxy-6Z,9Z-heptadecadiene
CID 14681521
3R,4S-epoxy-6Z,9Z-heptadecadiene
CID 14681522

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[(Z)-dodec-2-enyl]-3-pentyloxirane?
The IUPAC name of (2R,3S)-2-[(Z)-dodec-2-enyl]-3-pentyloxirane (CID 15708146) is (2R,3S)-2-[(Z)-dodec-2-enyl]-3-pentyloxirane.
What is the SMILES notation for (2R,3S)-2-[(Z)-dodec-2-enyl]-3-pentyloxirane?
The canonical SMILES for (2R,3S)-2-[(Z)-dodec-2-enyl]-3-pentyloxirane is CCCCCCCCC/C=C\C[C@H]1O[C@H]1CCCCC.
What is the InChIKey of (2R,3S)-2-[(Z)-dodec-2-enyl]-3-pentyloxirane?
The InChIKey is OFKABGGYCLPLTM-GCAXBUKTSA-N. The full InChI is InChI=1S/C19H36O/c1-3-5-7-8-9-10-11-12-13-15-17-19-18(20-19)16-14-6-4-2/h13,15,18-19H,3-12,14,16-17H2,1-2H3/b15-13-/t18-,19+/m0/s1.
What are the key properties of (2R,3S)-2-[(Z)-dodec-2-enyl]-3-pentyloxirane?
(2R,3S)-2-[(Z)-dodec-2-enyl]-3-pentyloxirane has a molecular weight of 280.50 g/mol, XLogP of 6.42, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[(Z)-dodec-2-enyl]-3-pentyloxirane is sourced from PubChem (CID 15708146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).