(E)-nonadec-5-ene-1,2-diol

C19H38O2 — CID 142781627

IUPAC(E)-nonadec-5-ene-1,2-diol
SMILESCCCCCCCCCCCCC/C=C/CCC(O)CO
InChIInChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20/h14-15,19-21H,2-13,16-18H2,1H3/b15-14+
InChIKeyQEKWULZCVYDUAQ-CCEZHUSRSA-N
MW298.51 g/mol
LogP5.38
Rot. Bonds16

About (E)-nonadec-5-ene-1,2-diol

(E)-nonadec-5-ene-1,2-diol (PubChem CID 142781627) has the molecular formula C19H38O2 and a molecular weight of 298.51 g/mol. Its IUPAC name is (E)-nonadec-5-ene-1,2-diol.

Molecular Properties

Compound Name(E)-nonadec-5-ene-1,2-diol
PubChem CID142781627
Molecular FormulaC19H38O2
Molecular Weight298.51 g/mol
Exact Mass298.29
IUPAC Name(E)-nonadec-5-ene-1,2-diol
SMILESCCCCCCCCCCCCC/C=C/CCC(O)CO
InChIInChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20/h14-15,19-21H,2-13,16-18H2,1H3/b15-14+
InChIKeyQEKWULZCVYDUAQ-CCEZHUSRSA-N
XLogP5.38
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

octadec-9-ene-1,2-diol
CID 139720566
hexadecane-1,2-diol;(Z)-octadec-9-en-1-ol
CID 86739633
(Z)-tetracos-6-en-10-ol
CID 168947717
(Z)-dodec-6-ene-1,3-diol
CID 10488272
henicosa-6,15-dien-10-ol
CID 141379717
(E)-dec-4-ene-1,2-diol
CID 13288576
(Z)-1,2-dihydroxydocos-13-en-5-one
CID 89218379
octacos-21-en-10-ol
CID 163011476
octadec-4-ene-1,8-diol
CID 123554473
(Z)-20,21-dihydroxyhenicos-9-enoic acid;(Z)-octadec-9-enoic acid
CID 158902601
propane-1,2,3-triol;tridec-2-ene
CID 159701393
(E,2S,4R)-nonadec-6-ene-1,2,4-triol
CID 56590714

Frequently Asked Questions

What is the IUPAC name of (E)-nonadec-5-ene-1,2-diol?
The IUPAC name of (E)-nonadec-5-ene-1,2-diol (CID 142781627) is (E)-nonadec-5-ene-1,2-diol.
What is the SMILES notation for (E)-nonadec-5-ene-1,2-diol?
The canonical SMILES for (E)-nonadec-5-ene-1,2-diol is CCCCCCCCCCCCC/C=C/CCC(O)CO.
What is the InChIKey of (E)-nonadec-5-ene-1,2-diol?
The InChIKey is QEKWULZCVYDUAQ-CCEZHUSRSA-N. The full InChI is InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20/h14-15,19-21H,2-13,16-18H2,1H3/b15-14+.
What are the key properties of (E)-nonadec-5-ene-1,2-diol?
(E)-nonadec-5-ene-1,2-diol has a molecular weight of 298.51 g/mol, XLogP of 5.38, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-nonadec-5-ene-1,2-diol is sourced from PubChem (CID 142781627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).