3-hexadecylidenecyclohexan-1-ol

C22H42O — CID 91228547

IUPAC3-hexadecylidenecyclohexan-1-ol
SMILESCCCCCCCCCCCCCCCC=C1CCCC(O)C1
InChIInChI=1S/C22H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-21-18-16-19-22(23)20-21/h17,22-23H,2-16,18-20H2,1H3
InChIKeyBGRUGIINKNRBAM-UHFFFAOYSA-N
MW322.58 g/mol
LogP7.33
Rot. Bonds14

About 3-hexadecylidenecyclohexan-1-ol

3-hexadecylidenecyclohexan-1-ol (PubChem CID 91228547) has the molecular formula C22H42O and a molecular weight of 322.58 g/mol. Its IUPAC name is 3-hexadecylidenecyclohexan-1-ol.

Molecular Properties

Compound Name3-hexadecylidenecyclohexan-1-ol
PubChem CID91228547
Molecular FormulaC22H42O
Molecular Weight322.58 g/mol
Exact Mass322.32
IUPAC Name3-hexadecylidenecyclohexan-1-ol
SMILESCCCCCCCCCCCCCCCC=C1CCCC(O)C1
InChIInChI=1S/C22H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-21-18-16-19-22(23)20-21/h17,22-23H,2-16,18-20H2,1H3
InChIKeyBGRUGIINKNRBAM-UHFFFAOYSA-N
XLogP7.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.58
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(1S,3E)-3-propylidenecyclohexan-1-ol
CID 88974984
dodecylidenecyclobutane
CID 176570971
decylidenecyclobutane
CID 15365573
(3E)-1-methyl-3-pentylidenecyclohexane
CID 6377600
hexylidenecyclobutane
CID 86127710
(1R,2Z)-2-octylidenecyclopentan-1-ol
CID 177383761
heptadecylidenecyclopropane
CID 19760704
(4Z)-4-nonylideneazepane
CID 103983668
1-methyl-2-nonylidenecyclopentane
CID 123463809
(4Z)-4-octylideneazepane
CID 103983605
(1E)-1-butylidene-3-methylcyclohexane
CID 10606948
pentylidenecyclopentadecane
CID 151655236

Frequently Asked Questions

What is the IUPAC name of 3-hexadecylidenecyclohexan-1-ol?
The IUPAC name of 3-hexadecylidenecyclohexan-1-ol (CID 91228547) is 3-hexadecylidenecyclohexan-1-ol.
What is the SMILES notation for 3-hexadecylidenecyclohexan-1-ol?
The canonical SMILES for 3-hexadecylidenecyclohexan-1-ol is CCCCCCCCCCCCCCCC=C1CCCC(O)C1.
What is the InChIKey of 3-hexadecylidenecyclohexan-1-ol?
The InChIKey is BGRUGIINKNRBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-21-18-16-19-22(23)20-21/h17,22-23H,2-16,18-20H2,1H3.
What are the key properties of 3-hexadecylidenecyclohexan-1-ol?
3-hexadecylidenecyclohexan-1-ol has a molecular weight of 322.58 g/mol, XLogP of 7.33, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexadecylidenecyclohexan-1-ol is sourced from PubChem (CID 91228547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).