(2R,3S)-2-[(Z)-pent-2-enyl]-3-[(Z)-undec-2-enyl]oxirane

C18H32O — CID 56936250

IUPAC(2R,3S)-2-[(Z)-pent-2-enyl]-3-[(Z)-undec-2-enyl]oxirane
SMILESCC/C=C\C[C@H]1O[C@H]1C/C=C\CCCCCCCC
InChIInChI=1S/C18H32O/c1-3-5-7-8-9-10-11-12-14-16-18-17(19-18)15-13-6-4-2/h6,12-14,17-18H,3-5,7-11,15-16H2,1-2H3/b13-6-,14-12-/t17-,18+/m1/s1
InChIKeyRSWYJAMVUDLFEQ-GLPOBPIQSA-N
MW264.45 g/mol
LogP5.81
Rot. Bonds12

About (2R,3S)-2-[(Z)-pent-2-enyl]-3-[(Z)-undec-2-enyl]oxirane

(2R,3S)-2-[(Z)-pent-2-enyl]-3-[(Z)-undec-2-enyl]oxirane (PubChem CID 56936250) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is (2R,3S)-2-[(Z)-pent-2-enyl]-3-[(Z)-undec-2-enyl]oxirane.

Molecular Properties

Compound Name(2R,3S)-2-[(Z)-pent-2-enyl]-3-[(Z)-undec-2-enyl]oxirane
PubChem CID56936250
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name(2R,3S)-2-[(Z)-pent-2-enyl]-3-[(Z)-undec-2-enyl]oxirane
SMILESCC/C=C\C[C@H]1O[C@H]1C/C=C\CCCCCCCC
InChIInChI=1S/C18H32O/c1-3-5-7-8-9-10-11-12-14-16-18-17(19-18)15-13-6-4-2/h6,12-14,17-18H,3-5,7-11,15-16H2,1-2H3/b13-6-,14-12-/t17-,18+/m1/s1
InChIKeyRSWYJAMVUDLFEQ-GLPOBPIQSA-N
XLogP5.81
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.81
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

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
(5Z,8Z,11Z,14Z)-1-Isopropoxy-icosa-5,8,11,14-tetraene
CID 10830440
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
(5Z,8Z,11Z,14Z)-1-sec-Butoxy-icosa-5,8,11,14-tetraene
CID 10569636
9R,10S-Epoxy-6Z-heneicosene
CID 11809018
3S,4R-epoxy-6Z,9Z-heptadecadiene
CID 14681521

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[(Z)-pent-2-enyl]-3-[(Z)-undec-2-enyl]oxirane?
The IUPAC name of (2R,3S)-2-[(Z)-pent-2-enyl]-3-[(Z)-undec-2-enyl]oxirane (CID 56936250) is (2R,3S)-2-[(Z)-pent-2-enyl]-3-[(Z)-undec-2-enyl]oxirane.
What is the SMILES notation for (2R,3S)-2-[(Z)-pent-2-enyl]-3-[(Z)-undec-2-enyl]oxirane?
The canonical SMILES for (2R,3S)-2-[(Z)-pent-2-enyl]-3-[(Z)-undec-2-enyl]oxirane is CC/C=C\C[C@H]1O[C@H]1C/C=C\CCCCCCCC.
What is the InChIKey of (2R,3S)-2-[(Z)-pent-2-enyl]-3-[(Z)-undec-2-enyl]oxirane?
The InChIKey is RSWYJAMVUDLFEQ-GLPOBPIQSA-N. The full InChI is InChI=1S/C18H32O/c1-3-5-7-8-9-10-11-12-14-16-18-17(19-18)15-13-6-4-2/h6,12-14,17-18H,3-5,7-11,15-16H2,1-2H3/b13-6-,14-12-/t17-,18+/m1/s1.
What are the key properties of (2R,3S)-2-[(Z)-pent-2-enyl]-3-[(Z)-undec-2-enyl]oxirane?
(2R,3S)-2-[(Z)-pent-2-enyl]-3-[(Z)-undec-2-enyl]oxirane has a molecular weight of 264.45 g/mol, XLogP of 5.81, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[(Z)-pent-2-enyl]-3-[(Z)-undec-2-enyl]oxirane is sourced from PubChem (CID 56936250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).