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

C19H34O — CID 14699897

IUPAC(2R,3S)-2-[(Z)-dodec-2-enyl]-3-[(Z)-pent-2-enyl]oxirane
SMILESCC/C=C\C[C@@H]1O[C@@H]1C/C=C\CCCCCCCCC
InChIInChI=1S/C19H34O/c1-3-5-7-8-9-10-11-12-13-15-17-19-18(20-19)16-14-6-4-2/h6,13-15,18-19H,3-5,7-12,16-17H2,1-2H3/b14-6-,15-13-/t18-,19+/m0/s1
InChIKeyVKFUITAUPPZRKE-SGHGZILCSA-N
MW278.48 g/mol
LogP6.20
Rot. Bonds13

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

(2R,3S)-2-[(Z)-dodec-2-enyl]-3-[(Z)-pent-2-enyl]oxirane (PubChem CID 14699897) has the molecular formula C19H34O and a molecular weight of 278.48 g/mol. Its IUPAC name is (2R,3S)-2-[(Z)-dodec-2-enyl]-3-[(Z)-pent-2-enyl]oxirane.

Molecular Properties

Compound Name(2R,3S)-2-[(Z)-dodec-2-enyl]-3-[(Z)-pent-2-enyl]oxirane
PubChem CID14699897
Molecular FormulaC19H34O
Molecular Weight278.48 g/mol
Exact Mass278.26
IUPAC Name(2R,3S)-2-[(Z)-dodec-2-enyl]-3-[(Z)-pent-2-enyl]oxirane
SMILESCC/C=C\C[C@@H]1O[C@@H]1C/C=C\CCCCCCCCC
InChIInChI=1S/C19H34O/c1-3-5-7-8-9-10-11-12-13-15-17-19-18(20-19)16-14-6-4-2/h6,13-15,18-19H,3-5,7-12,16-17H2,1-2H3/b14-6-,15-13-/t18-,19+/m0/s1
InChIKeyVKFUITAUPPZRKE-SGHGZILCSA-N
XLogP6.20
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 56.20
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
(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
3R,4S-epoxy-6Z,9Z-heptadecadiene
CID 14681522
9,10-Epoxy-1,5-cyclododecadiene
CID 6025413

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[(Z)-dodec-2-enyl]-3-[(Z)-pent-2-enyl]oxirane?
The IUPAC name of (2R,3S)-2-[(Z)-dodec-2-enyl]-3-[(Z)-pent-2-enyl]oxirane (CID 14699897) is (2R,3S)-2-[(Z)-dodec-2-enyl]-3-[(Z)-pent-2-enyl]oxirane.
What is the SMILES notation for (2R,3S)-2-[(Z)-dodec-2-enyl]-3-[(Z)-pent-2-enyl]oxirane?
The canonical SMILES for (2R,3S)-2-[(Z)-dodec-2-enyl]-3-[(Z)-pent-2-enyl]oxirane is CC/C=C\C[C@@H]1O[C@@H]1C/C=C\CCCCCCCCC.
What is the InChIKey of (2R,3S)-2-[(Z)-dodec-2-enyl]-3-[(Z)-pent-2-enyl]oxirane?
The InChIKey is VKFUITAUPPZRKE-SGHGZILCSA-N. The full InChI is InChI=1S/C19H34O/c1-3-5-7-8-9-10-11-12-13-15-17-19-18(20-19)16-14-6-4-2/h6,13-15,18-19H,3-5,7-12,16-17H2,1-2H3/b14-6-,15-13-/t18-,19+/m0/s1.
What are the key properties of (2R,3S)-2-[(Z)-dodec-2-enyl]-3-[(Z)-pent-2-enyl]oxirane?
(2R,3S)-2-[(Z)-dodec-2-enyl]-3-[(Z)-pent-2-enyl]oxirane has a molecular weight of 278.48 g/mol, XLogP of 6.20, 13 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-[(Z)-pent-2-enyl]oxirane is sourced from PubChem (CID 14699897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).