pentadecylcyclohexane

C21H42 — CID 22328

IUPACpentadecylcyclohexane
SMILESCCCCCCCCCCCCCCCC1CCCCC1
InChIInChI=1S/C21H42/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-19-16-14-17-20-21/h21H,2-20H2,1H3
InChIKeyZNUABQHWFGTOCO-UHFFFAOYSA-N
MW294.57 g/mol
LogP8.05
Rot. Bonds14

About pentadecylcyclohexane

pentadecylcyclohexane (PubChem CID 22328) has the molecular formula C21H42 and a molecular weight of 294.57 g/mol. Its IUPAC name is pentadecylcyclohexane.

Molecular Properties

Compound Namepentadecylcyclohexane
PubChem CID22328
Molecular FormulaC21H42
Molecular Weight294.57 g/mol
Exact Mass294.33
IUPAC Namepentadecylcyclohexane
SMILESCCCCCCCCCCCCCCCC1CCCCC1
InChIInChI=1S/C21H42/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-19-16-14-17-20-21/h21H,2-20H2,1H3
InChIKeyZNUABQHWFGTOCO-UHFFFAOYSA-N
XLogP8.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.57
LogP ≤ 58.05
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 pentadecylcyclohexane?
The IUPAC name of pentadecylcyclohexane (CID 22328) is pentadecylcyclohexane.
What is the SMILES notation for pentadecylcyclohexane?
The canonical SMILES for pentadecylcyclohexane is CCCCCCCCCCCCCCCC1CCCCC1.
What is the InChIKey of pentadecylcyclohexane?
The InChIKey is ZNUABQHWFGTOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-19-16-14-17-20-21/h21H,2-20H2,1H3.
What are the key properties of pentadecylcyclohexane?
pentadecylcyclohexane has a molecular weight of 294.57 g/mol, XLogP of 8.05, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentadecylcyclohexane is sourced from PubChem (CID 22328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).