decyl 1-(4-cyclohexyl-1-octylcyclohexyl)cyclohexane-1-carboxylate

C37H68O2 — CID 70447481

IUPACdecyl 1-(4-cyclohexyl-1-octylcyclohexyl)cyclohexane-1-carboxylate
SMILESCCCCCCCCCCOC(=O)C1(C2(CCCCCCCC)CCC(C3CCCCC3)CC2)CCCCC1
InChIInChI=1S/C37H68O2/c1-3-5-7-9-11-12-14-22-32-39-35(38)37(28-20-16-21-29-37)36(27-19-13-10-8-6-4-2)30-25-34(26-31-36)33-23-17-15-18-24-33/h33-34H,3-32H2,1-2H3
InChIKeyRQPXANXWFPOSPL-UHFFFAOYSA-N
MW544.95 g/mol
LogP12.13
Rot. Bonds19

About decyl 1-(4-cyclohexyl-1-octylcyclohexyl)cyclohexane-1-carboxylate

decyl 1-(4-cyclohexyl-1-octylcyclohexyl)cyclohexane-1-carboxylate (PubChem CID 70447481) has the molecular formula C37H68O2 and a molecular weight of 544.95 g/mol. Its IUPAC name is decyl 1-(4-cyclohexyl-1-octylcyclohexyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namedecyl 1-(4-cyclohexyl-1-octylcyclohexyl)cyclohexane-1-carboxylate
PubChem CID70447481
Molecular FormulaC37H68O2
Molecular Weight544.95 g/mol
Exact Mass544.52
IUPAC Namedecyl 1-(4-cyclohexyl-1-octylcyclohexyl)cyclohexane-1-carboxylate
SMILESCCCCCCCCCCOC(=O)C1(C2(CCCCCCCC)CCC(C3CCCCC3)CC2)CCCCC1
InChIInChI=1S/C37H68O2/c1-3-5-7-9-11-12-14-22-32-39-35(38)37(28-20-16-21-29-37)36(27-19-13-10-8-6-4-2)30-25-34(26-31-36)33-23-17-15-18-24-33/h33-34H,3-32H2,1-2H3
InChIKeyRQPXANXWFPOSPL-UHFFFAOYSA-N
XLogP12.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.95
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze decyl 1-(4-cyclohexyl-1-octylcyclohexyl)cyclohexane-1-carboxylate 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

pentyl 1-(4-cyclohexyl-1-octylcyclohexyl)cyclohexane-1-carboxylate
CID 70446547
hexyl 1-(4-cyclohexyl-1-heptylcyclohexyl)cyclohexane-1-carboxylate
CID 70446860
propyl 1-(4-cyclohexyl-1-hexylcyclohexyl)cyclohexane-1-carboxylate
CID 70446594
propyl 1-(4-cyclohexyl-1-ethylcyclohexyl)cyclohexane-1-carboxylate
CID 70447326
heptyl 1-heptylcyclohexane-1-carboxylate
CID 118023619
1-(4-cyclohexyl-1-propylcyclohexyl)cyclohexane-1-carboxamide
CID 18607603
1-O-heptyl 1-O'-nonyl cyclohexane-1,1-dicarboxylate
CID 122459033
1-O'-decyl 1-O-octyl cyclohexane-1,1-dicarboxylate
CID 122459034
octyl 1-aminocyclohexane-1-carboxylate
CID 61303894
hexyl 1-aminocyclohexane-1-carboxylate
CID 61301911
pentyl 7-pentyl-7-azabicyclo[4.1.0]heptane-1-carboxylate
CID 565333
dioctyl 1,2-dimethylcyclohexane-1,2-dicarboxylate
CID 175527356

Frequently Asked Questions

What is the IUPAC name of decyl 1-(4-cyclohexyl-1-octylcyclohexyl)cyclohexane-1-carboxylate?
The IUPAC name of decyl 1-(4-cyclohexyl-1-octylcyclohexyl)cyclohexane-1-carboxylate (CID 70447481) is decyl 1-(4-cyclohexyl-1-octylcyclohexyl)cyclohexane-1-carboxylate.
What is the SMILES notation for decyl 1-(4-cyclohexyl-1-octylcyclohexyl)cyclohexane-1-carboxylate?
The canonical SMILES for decyl 1-(4-cyclohexyl-1-octylcyclohexyl)cyclohexane-1-carboxylate is CCCCCCCCCCOC(=O)C1(C2(CCCCCCCC)CCC(C3CCCCC3)CC2)CCCCC1.
What is the InChIKey of decyl 1-(4-cyclohexyl-1-octylcyclohexyl)cyclohexane-1-carboxylate?
The InChIKey is RQPXANXWFPOSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H68O2/c1-3-5-7-9-11-12-14-22-32-39-35(38)37(28-20-16-21-29-37)36(27-19-13-10-8-6-4-2)30-25-34(26-31-36)33-23-17-15-18-24-33/h33-34H,3-32H2,1-2H3.
What are the key properties of decyl 1-(4-cyclohexyl-1-octylcyclohexyl)cyclohexane-1-carboxylate?
decyl 1-(4-cyclohexyl-1-octylcyclohexyl)cyclohexane-1-carboxylate has a molecular weight of 544.95 g/mol, XLogP of 12.13, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 1-(4-cyclohexyl-1-octylcyclohexyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 70447481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).