docosylcyclohexane

C28H56 — CID 521991

IUPACdocosylcyclohexane
SMILESCCCCCCCCCCCCCCCCCCCCCCC1CCCCC1
InChIInChI=1S/C28H56/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-28-26-23-21-24-27-28/h28H,2-27H2,1H3
InChIKeyUCGNTQHMZUJDJR-UHFFFAOYSA-N
MW392.76 g/mol
LogP10.78
Rot. Bonds21

About docosylcyclohexane

docosylcyclohexane (PubChem CID 521991) has the molecular formula C28H56 and a molecular weight of 392.76 g/mol. Its IUPAC name is docosylcyclohexane.

Molecular Properties

Compound Namedocosylcyclohexane
PubChem CID521991
Molecular FormulaC28H56
Molecular Weight392.76 g/mol
Exact Mass392.44
IUPAC Namedocosylcyclohexane
SMILESCCCCCCCCCCCCCCCCCCCCCCC1CCCCC1
InChIInChI=1S/C28H56/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-28-26-23-21-24-27-28/h28H,2-27H2,1H3
InChIKeyUCGNTQHMZUJDJR-UHFFFAOYSA-N
XLogP10.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.76
LogP ≤ 510.78
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

tetradecylcycloundecane
CID 169026040
octylcyclotetradecane
CID 175261841
tetradecylcyclododecane
CID 169026037
azane;heptylcyclohexane
CID 121434222
ethene;pentylcyclopentane
CID 145442606
heptylcyclohexane;propan-2-one
CID 143570854
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
1-cyclohexyl-4-nonylcyclohexane
CID 56627592
carbanide;dichlorozirconium(2+);bis(heptylcyclopentane)
CID 162290746

Frequently Asked Questions

What is the IUPAC name of docosylcyclohexane?
The IUPAC name of docosylcyclohexane (CID 521991) is docosylcyclohexane.
What is the SMILES notation for docosylcyclohexane?
The canonical SMILES for docosylcyclohexane is CCCCCCCCCCCCCCCCCCCCCCC1CCCCC1.
What is the InChIKey of docosylcyclohexane?
The InChIKey is UCGNTQHMZUJDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-28-26-23-21-24-27-28/h28H,2-27H2,1H3.
What are the key properties of docosylcyclohexane?
docosylcyclohexane has a molecular weight of 392.76 g/mol, XLogP of 10.78, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for docosylcyclohexane is sourced from PubChem (CID 521991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).