hexadecan-8-ylcyclohexane

C22H44 — CID 91510029

IUPAChexadecan-8-ylcyclohexane
SMILESCCCCCCCCC(CCCCCCC)C1CCCCC1
InChIInChI=1S/C22H44/c1-3-5-7-9-11-14-18-21(17-13-10-8-6-4-2)22-19-15-12-16-20-22/h21-22H,3-20H2,1-2H3
InChIKeyGAZSIAQABRPJQE-UHFFFAOYSA-N
MW308.59 g/mol
LogP8.29
Rot. Bonds14

About hexadecan-8-ylcyclohexane

hexadecan-8-ylcyclohexane (PubChem CID 91510029) has the molecular formula C22H44 and a molecular weight of 308.59 g/mol. Its IUPAC name is hexadecan-8-ylcyclohexane.

Molecular Properties

Compound Namehexadecan-8-ylcyclohexane
PubChem CID91510029
Molecular FormulaC22H44
Molecular Weight308.59 g/mol
Exact Mass308.34
IUPAC Namehexadecan-8-ylcyclohexane
SMILESCCCCCCCCC(CCCCCCC)C1CCCCC1
InChIInChI=1S/C22H44/c1-3-5-7-9-11-14-18-21(17-13-10-8-6-4-2)22-19-15-12-16-20-22/h21-22H,3-20H2,1-2H3
InChIKeyGAZSIAQABRPJQE-UHFFFAOYSA-N
XLogP8.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.59
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze hexadecan-8-ylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

undecan-5-ylcyclohexane
CID 524419
nonan-3-ylcyclopentane
CID 19893531
1-chlorododecan-2-ylcyclopentane
CID 112570395
2-cyclopentyloctan-1-amine
CID 112569591
1-bromodecan-2-ylcyclopentane
CID 112570528
CID 22214505
CID 22214505
2-cyclopentyl-N-methyldodecan-1-amine
CID 112569791
2-cyclopentyl-N-propan-2-yloctan-1-amine
CID 112569984
1-cyclohexylheptylcyclohexane
CID 16404
1-cycloheptyldecylcycloheptane
CID 20559033
CID 22214511
CID 22214511
2-cyclopropylheptylcyclohexane
CID 57268487

Frequently Asked Questions

What is the IUPAC name of hexadecan-8-ylcyclohexane?
The IUPAC name of hexadecan-8-ylcyclohexane (CID 91510029) is hexadecan-8-ylcyclohexane.
What is the SMILES notation for hexadecan-8-ylcyclohexane?
The canonical SMILES for hexadecan-8-ylcyclohexane is CCCCCCCCC(CCCCCCC)C1CCCCC1.
What is the InChIKey of hexadecan-8-ylcyclohexane?
The InChIKey is GAZSIAQABRPJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44/c1-3-5-7-9-11-14-18-21(17-13-10-8-6-4-2)22-19-15-12-16-20-22/h21-22H,3-20H2,1-2H3.
What are the key properties of hexadecan-8-ylcyclohexane?
hexadecan-8-ylcyclohexane has a molecular weight of 308.59 g/mol, XLogP of 8.29, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecan-8-ylcyclohexane is sourced from PubChem (CID 91510029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).