hexadecylcyclohexane

C22H44 — CID 23250

IUPAChexadecylcyclohexane
SMILESCCCCCCCCCCCCCCCCC1CCCCC1
InChIInChI=1S/C22H44/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h22H,2-21H2,1H3
InChIKeyNRHBFNBZAZZTAU-UHFFFAOYSA-N
MW308.59 g/mol
LogP8.44
Rot. Bonds15

About hexadecylcyclohexane

hexadecylcyclohexane (PubChem CID 23250) has the molecular formula C22H44 and a molecular weight of 308.59 g/mol. Its IUPAC name is hexadecylcyclohexane.

Molecular Properties

Compound Namehexadecylcyclohexane
PubChem CID23250
Molecular FormulaC22H44
Molecular Weight308.59 g/mol
Exact Mass308.34
IUPAC Namehexadecylcyclohexane
SMILESCCCCCCCCCCCCCCCCC1CCCCC1
InChIInChI=1S/C22H44/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h22H,2-21H2,1H3
InChIKeyNRHBFNBZAZZTAU-UHFFFAOYSA-N
XLogP8.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.59
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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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 hexadecylcyclohexane?
The IUPAC name of hexadecylcyclohexane (CID 23250) is hexadecylcyclohexane.
What is the SMILES notation for hexadecylcyclohexane?
The canonical SMILES for hexadecylcyclohexane is CCCCCCCCCCCCCCCCC1CCCCC1.
What is the InChIKey of hexadecylcyclohexane?
The InChIKey is NRHBFNBZAZZTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h22H,2-21H2,1H3.
What are the key properties of hexadecylcyclohexane?
hexadecylcyclohexane has a molecular weight of 308.59 g/mol, XLogP of 8.44, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecylcyclohexane is sourced from PubChem (CID 23250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).