heptadecylcyclohexane

C23H46 — CID 29777

IUPACheptadecylcyclohexane
SMILESCCCCCCCCCCCCCCCCCC1CCCCC1
InChIInChI=1S/C23H46/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-21-18-16-19-22-23/h23H,2-22H2,1H3
InChIKeyVLHZQNGNJQYAIZ-UHFFFAOYSA-N
MW322.62 g/mol
LogP8.83
Rot. Bonds16

About heptadecylcyclohexane

heptadecylcyclohexane (PubChem CID 29777) has the molecular formula C23H46 and a molecular weight of 322.62 g/mol. Its IUPAC name is heptadecylcyclohexane.

Molecular Properties

Compound Nameheptadecylcyclohexane
PubChem CID29777
Molecular FormulaC23H46
Molecular Weight322.62 g/mol
Exact Mass322.36
IUPAC Nameheptadecylcyclohexane
SMILESCCCCCCCCCCCCCCCCCC1CCCCC1
InChIInChI=1S/C23H46/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-21-18-16-19-22-23/h23H,2-22H2,1H3
InChIKeyVLHZQNGNJQYAIZ-UHFFFAOYSA-N
XLogP8.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.62
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze heptadecylcyclohexane 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

Pristane
CID 15979
Butylcyclohexane
CID 15506
1-Methyl-4-isopropylcyclohexane
CID 7459
Squalane
CID 8089
Isopropylcyclohexane
CID 12763
Ethylcyclohexane
CID 15504
Phytane
CID 12523
Pentylcyclohexane
CID 20284
Farnesane
CID 19773
Propylcyclohexane
CID 15505
sec-Butylcyclohexane
CID 23468
Cyclohexane, 1-methyl-3-(1-methylethyl)-
CID 27938

Frequently Asked Questions

What is the IUPAC name of heptadecylcyclohexane?
The IUPAC name of heptadecylcyclohexane (CID 29777) is heptadecylcyclohexane.
What is the SMILES notation for heptadecylcyclohexane?
The canonical SMILES for heptadecylcyclohexane is CCCCCCCCCCCCCCCCCC1CCCCC1.
What is the InChIKey of heptadecylcyclohexane?
The InChIKey is VLHZQNGNJQYAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-21-18-16-19-22-23/h23H,2-22H2,1H3.
What are the key properties of heptadecylcyclohexane?
heptadecylcyclohexane has a molecular weight of 322.62 g/mol, XLogP of 8.83, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptadecylcyclohexane is sourced from PubChem (CID 29777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).