octadecylcyclohexane

C24H48 — CID 20514

IUPACoctadecylcyclohexane
SMILESCCCCCCCCCCCCCCCCCCC1CCCCC1
InChIInChI=1S/C24H48/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24/h24H,2-23H2,1H3
InChIKeyMWWVNZNVTGBKQO-UHFFFAOYSA-N
MW336.65 g/mol
LogP9.22
Rot. Bonds17

About octadecylcyclohexane

octadecylcyclohexane (PubChem CID 20514) has the molecular formula C24H48 and a molecular weight of 336.65 g/mol. Its IUPAC name is octadecylcyclohexane.

Molecular Properties

Compound Nameoctadecylcyclohexane
PubChem CID20514
Molecular FormulaC24H48
Molecular Weight336.65 g/mol
Exact Mass336.38
IUPAC Nameoctadecylcyclohexane
SMILESCCCCCCCCCCCCCCCCCCC1CCCCC1
InChIInChI=1S/C24H48/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24/h24H,2-23H2,1H3
InChIKeyMWWVNZNVTGBKQO-UHFFFAOYSA-N
XLogP9.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.65
LogP ≤ 59.22
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 octadecylcyclohexane?
The IUPAC name of octadecylcyclohexane (CID 20514) is octadecylcyclohexane.
What is the SMILES notation for octadecylcyclohexane?
The canonical SMILES for octadecylcyclohexane is CCCCCCCCCCCCCCCCCCC1CCCCC1.
What is the InChIKey of octadecylcyclohexane?
The InChIKey is MWWVNZNVTGBKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24/h24H,2-23H2,1H3.
What are the key properties of octadecylcyclohexane?
octadecylcyclohexane has a molecular weight of 336.65 g/mol, XLogP of 9.22, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octadecylcyclohexane is sourced from PubChem (CID 20514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).