cyclohexyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate

C21H36O4 — CID 140892358

IUPACcyclohexyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate
SMILESO=C(OC1CCCCC1)C1CCC(OCCOC2CCCCC2)CC1
InChIInChI=1S/C21H36O4/c22-21(25-20-9-5-2-6-10-20)17-11-13-19(14-12-17)24-16-15-23-18-7-3-1-4-8-18/h17-20H,1-16H2
InChIKeyOJHJCWRMLWKSFA-UHFFFAOYSA-N
MW352.52 g/mol
LogP4.79
Rot. Bonds7

About cyclohexyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate

cyclohexyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate (PubChem CID 140892358) has the molecular formula C21H36O4 and a molecular weight of 352.52 g/mol. Its IUPAC name is cyclohexyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namecyclohexyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate
PubChem CID140892358
Molecular FormulaC21H36O4
Molecular Weight352.52 g/mol
Exact Mass352.26
IUPAC Namecyclohexyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate
SMILESO=C(OC1CCCCC1)C1CCC(OCCOC2CCCCC2)CC1
InChIInChI=1S/C21H36O4/c22-21(25-20-9-5-2-6-10-20)17-11-13-19(14-12-17)24-16-15-23-18-7-3-1-4-8-18/h17-20H,1-16H2
InChIKeyOJHJCWRMLWKSFA-UHFFFAOYSA-N
XLogP4.79
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclooctyl cyclooctanecarboxylate
CID 57160377
[4-(cyclohexanecarbonyloxy)cyclohexyl] cyclohexanecarboxylate
CID 118132173
cyclopentyl cyclopropanecarboxylate;ethane
CID 145397481
cyclopropyl cyclopropanecarboxylate
CID 54407874
4-cyclohexyloxycarbonylcyclohexane-1-carboxylic acid
CID 23444122
4-cyclopentyloxycarbonylcyclohexane-1-carboxylic acid
CID 154411856
nonyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate
CID 140892346
(4-methylcyclohexyl) 4-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylate
CID 58650724
cyclopentyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 79525375
(4-ethoxycyclohexyl) 4-methoxycyclohexane-1-carboxylate
CID 145123697
bis(2-cyclohexyloxyethyl) carbonate
CID 139670101
2-methoxyethoxycyclohexane
CID 20550469

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate?
The IUPAC name of cyclohexyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate (CID 140892358) is cyclohexyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate.
What is the SMILES notation for cyclohexyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate?
The canonical SMILES for cyclohexyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate is O=C(OC1CCCCC1)C1CCC(OCCOC2CCCCC2)CC1.
What is the InChIKey of cyclohexyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate?
The InChIKey is OJHJCWRMLWKSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O4/c22-21(25-20-9-5-2-6-10-20)17-11-13-19(14-12-17)24-16-15-23-18-7-3-1-4-8-18/h17-20H,1-16H2.
What are the key properties of cyclohexyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate?
cyclohexyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate has a molecular weight of 352.52 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate is sourced from PubChem (CID 140892358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).