(Z)-hexadec-4-ene-7,8-diol

C16H32O2 — CID 118508493

IUPAC(Z)-hexadec-4-ene-7,8-diol
SMILESCCC/C=C\CC(O)C(O)CCCCCCCC
InChIInChI=1S/C16H32O2/c1-3-5-7-9-10-12-14-16(18)15(17)13-11-8-6-4-2/h8,11,15-18H,3-7,9-10,12-14H2,1-2H3/b11-8-
InChIKeyCUMHEKNKWZYGMS-FLIBITNWSA-N
MW256.43 g/mol
LogP4.21
Rot. Bonds12

About (Z)-hexadec-4-ene-7,8-diol

(Z)-hexadec-4-ene-7,8-diol (PubChem CID 118508493) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is (Z)-hexadec-4-ene-7,8-diol.

Molecular Properties

Compound Name(Z)-hexadec-4-ene-7,8-diol
PubChem CID118508493
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name(Z)-hexadec-4-ene-7,8-diol
SMILESCCC/C=C\CC(O)C(O)CCCCCCCC
InChIInChI=1S/C16H32O2/c1-3-5-7-9-10-12-14-16(18)15(17)13-11-8-6-4-2/h8,11,15-18H,3-7,9-10,12-14H2,1-2H3/b11-8-
InChIKeyCUMHEKNKWZYGMS-FLIBITNWSA-N
XLogP4.21
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.21
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

(E)-heptadec-9-ene-6,7-diol
CID 173310595
(9E)-nonadeca-9,18-diene-6,7-diol
CID 20847648
(Z)-octacos-19-ene-10,11-diol
CID 87651448
(Z)-12,13-dihydroxyoctadec-9-enoic acid
CID 10236635
nonacosane-14,15-diol
CID 91509633
17-aminohexatriacont-27-ene-16,18-diol
CID 123784672
(E,6S,7S)-nonadec-2-ene-1,6,7-triol
CID 11347574
(5Z,8Z,11Z)-14,15-dihydroxyicosa-5,8,11-trienoic acid
CID 5283147
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
(Z)-octadec-10-en-8-ol
CID 173051806
(Z)-pentadec-8-en-6-ol
CID 10398809
(E,10S)-henicos-7-en-10-ol
CID 14607531

Frequently Asked Questions

What is the IUPAC name of (Z)-hexadec-4-ene-7,8-diol?
The IUPAC name of (Z)-hexadec-4-ene-7,8-diol (CID 118508493) is (Z)-hexadec-4-ene-7,8-diol.
What is the SMILES notation for (Z)-hexadec-4-ene-7,8-diol?
The canonical SMILES for (Z)-hexadec-4-ene-7,8-diol is CCC/C=C\CC(O)C(O)CCCCCCCC.
What is the InChIKey of (Z)-hexadec-4-ene-7,8-diol?
The InChIKey is CUMHEKNKWZYGMS-FLIBITNWSA-N. The full InChI is InChI=1S/C16H32O2/c1-3-5-7-9-10-12-14-16(18)15(17)13-11-8-6-4-2/h8,11,15-18H,3-7,9-10,12-14H2,1-2H3/b11-8-.
What are the key properties of (Z)-hexadec-4-ene-7,8-diol?
(Z)-hexadec-4-ene-7,8-diol has a molecular weight of 256.43 g/mol, XLogP of 4.21, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hexadec-4-ene-7,8-diol is sourced from PubChem (CID 118508493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).