(3E,5Z)-1-cyclohexyloxyhexadeca-3,5-dien-2-ol

C22H40O2 — CID 59882927

IUPAC(3E,5Z)-1-cyclohexyloxyhexadeca-3,5-dien-2-ol
SMILESCCCCCCCCCC/C=C\C=C\C(O)COC1CCCCC1
InChIInChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-21(23)20-24-22-18-15-13-16-19-22/h11-12,14,17,21-23H,2-10,13,15-16,18-20H2,1H3/b12-11-,17-14+
InChIKeyOAQLZVMQNOQLKW-KMAOEOGZSA-N
MW336.56 g/mol
LogP6.34
Rot. Bonds14

About (3E,5Z)-1-cyclohexyloxyhexadeca-3,5-dien-2-ol

(3E,5Z)-1-cyclohexyloxyhexadeca-3,5-dien-2-ol (PubChem CID 59882927) has the molecular formula C22H40O2 and a molecular weight of 336.56 g/mol. Its IUPAC name is (3E,5Z)-1-cyclohexyloxyhexadeca-3,5-dien-2-ol.

Molecular Properties

Compound Name(3E,5Z)-1-cyclohexyloxyhexadeca-3,5-dien-2-ol
PubChem CID59882927
Molecular FormulaC22H40O2
Molecular Weight336.56 g/mol
Exact Mass336.30
IUPAC Name(3E,5Z)-1-cyclohexyloxyhexadeca-3,5-dien-2-ol
SMILESCCCCCCCCCC/C=C\C=C\C(O)COC1CCCCC1
InChIInChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-21(23)20-24-22-18-15-13-16-19-22/h11-12,14,17,21-23H,2-10,13,15-16,18-20H2,1H3/b12-11-,17-14+
InChIKeyOAQLZVMQNOQLKW-KMAOEOGZSA-N
XLogP6.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E,5Z)-1-cyclohexyloxyhexadeca-3,5-dien-2-ol;(11Z,13E)-15-hydroxy-16-[3-(trifluoromethyl)phenoxy]hexadeca-11,13-dienoic acid
CID 162003289
henicosa-2,4,6,8,10-pentaene-1,1-diol
CID 141316228
cyclohexyl octadeca-9,11,13-trienoate
CID 54410589
(22E)-heptatetraconta-22,24-diene
CID 56629131
2-methylhexadeca-3,5-diene
CID 140995829
methyl (9E,11E,13S)-13-hydroxyoctacosa-9,11-dienoate
CID 101242423
methyl (9E,11E,13R)-13-hydroxyoctadeca-9,11-dienoate
CID 35027784
(2E,4E,12Z)-1-cyclohexyloctadeca-2,4,12-trien-1-one
CID 89061533
(9R,10E)-9-hydroxyoctadeca-10,12-dienoic acid
CID 170924408
(15S)-15-hydroxyicosa-11,13-dienoic acid
CID 6610219
(10Z,12E,14R)-14-hydroxynonadeca-10,12-dienoic acid
CID 125480190
3-cyclohexyloxy-N-methyl-N-[(Z)-octadec-9-enyl]propanamide
CID 169179957

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-1-cyclohexyloxyhexadeca-3,5-dien-2-ol?
The IUPAC name of (3E,5Z)-1-cyclohexyloxyhexadeca-3,5-dien-2-ol (CID 59882927) is (3E,5Z)-1-cyclohexyloxyhexadeca-3,5-dien-2-ol.
What is the SMILES notation for (3E,5Z)-1-cyclohexyloxyhexadeca-3,5-dien-2-ol?
The canonical SMILES for (3E,5Z)-1-cyclohexyloxyhexadeca-3,5-dien-2-ol is CCCCCCCCCC/C=C\C=C\C(O)COC1CCCCC1.
What is the InChIKey of (3E,5Z)-1-cyclohexyloxyhexadeca-3,5-dien-2-ol?
The InChIKey is OAQLZVMQNOQLKW-KMAOEOGZSA-N. The full InChI is InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-21(23)20-24-22-18-15-13-16-19-22/h11-12,14,17,21-23H,2-10,13,15-16,18-20H2,1H3/b12-11-,17-14+.
What are the key properties of (3E,5Z)-1-cyclohexyloxyhexadeca-3,5-dien-2-ol?
(3E,5Z)-1-cyclohexyloxyhexadeca-3,5-dien-2-ol has a molecular weight of 336.56 g/mol, XLogP of 6.34, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-1-cyclohexyloxyhexadeca-3,5-dien-2-ol is sourced from PubChem (CID 59882927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).