4-cyclohexyloxycarbonylcyclohexane-1-carboxylic acid

C14H22O4 — CID 23444122

IUPAC4-cyclohexyloxycarbonylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)OC2CCCCC2)CC1
InChIInChI=1S/C14H22O4/c15-13(16)10-6-8-11(9-7-10)14(17)18-12-4-2-1-3-5-12/h10-12H,1-9H2,(H,15,16)
InChIKeyMUDNOXZOKORVOZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.75
Rot. Bonds3

About 4-cyclohexyloxycarbonylcyclohexane-1-carboxylic acid

4-cyclohexyloxycarbonylcyclohexane-1-carboxylic acid (PubChem CID 23444122) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-cyclohexyloxycarbonylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-cyclohexyloxycarbonylcyclohexane-1-carboxylic acid
PubChem CID23444122
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name4-cyclohexyloxycarbonylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)OC2CCCCC2)CC1
InChIInChI=1S/C14H22O4/c15-13(16)10-6-8-11(9-7-10)14(17)18-12-4-2-1-3-5-12/h10-12H,1-9H2,(H,15,16)
InChIKeyMUDNOXZOKORVOZ-UHFFFAOYSA-N
XLogP2.75
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopentyloxycarbonylcyclohexane-1-carboxylic acid
CID 154411856
cyclooctyl cyclooctanecarboxylate
CID 57160377
cyclopentyl cyclopropanecarboxylate;ethane
CID 145397481
[4-(cyclohexanecarbonyloxy)cyclohexyl] cyclohexanecarboxylate
CID 118132173
cyclopropyl cyclopropanecarboxylate
CID 54407874
cyclohexyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate
CID 140892358
(4-methylcyclohexyl) 4-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylate
CID 58650724
cyclopentyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 79525375
cyclotetracosanecarboxylic acid
CID 176986816
cyclohexanecarboxylic acid
CID 11286469
cyclooctadecane-1,7,13-tricarboxylic acid
CID 10715056
cycloheptyl hydrogen carbonate
CID 23179405

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxycarbonylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-cyclohexyloxycarbonylcyclohexane-1-carboxylic acid (CID 23444122) is 4-cyclohexyloxycarbonylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-cyclohexyloxycarbonylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-cyclohexyloxycarbonylcyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)OC2CCCCC2)CC1.
What is the InChIKey of 4-cyclohexyloxycarbonylcyclohexane-1-carboxylic acid?
The InChIKey is MUDNOXZOKORVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c15-13(16)10-6-8-11(9-7-10)14(17)18-12-4-2-1-3-5-12/h10-12H,1-9H2,(H,15,16).
What are the key properties of 4-cyclohexyloxycarbonylcyclohexane-1-carboxylic acid?
4-cyclohexyloxycarbonylcyclohexane-1-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxycarbonylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 23444122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).