4-cyclopentyloxycarbonylcyclohexane-1-carboxylic acid

C13H20O4 — CID 154411856

IUPAC4-cyclopentyloxycarbonylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)OC2CCCC2)CC1
InChIInChI=1S/C13H20O4/c14-12(15)9-5-7-10(8-6-9)13(16)17-11-3-1-2-4-11/h9-11H,1-8H2,(H,14,15)
InChIKeyWFVDLNXUBHJQIE-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.36
Rot. Bonds3

About 4-cyclopentyloxycarbonylcyclohexane-1-carboxylic acid

4-cyclopentyloxycarbonylcyclohexane-1-carboxylic acid (PubChem CID 154411856) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-cyclopentyloxycarbonylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-cyclopentyloxycarbonylcyclohexane-1-carboxylic acid
PubChem CID154411856
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name4-cyclopentyloxycarbonylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)OC2CCCC2)CC1
InChIInChI=1S/C13H20O4/c14-12(15)9-5-7-10(8-6-9)13(16)17-11-3-1-2-4-11/h9-11H,1-8H2,(H,14,15)
InChIKeyWFVDLNXUBHJQIE-UHFFFAOYSA-N
XLogP2.36
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclohexyloxycarbonylcyclohexane-1-carboxylic acid
CID 23444122
cyclopentyl cyclopropanecarboxylate;ethane
CID 145397481
cyclooctyl cyclooctanecarboxylate
CID 57160377
cyclopropyl cyclopropanecarboxylate
CID 54407874
[4-(cyclohexanecarbonyloxy)cyclohexyl] cyclohexanecarboxylate
CID 118132173
cyclohexyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate
CID 140892358
cyclopentyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 79525375
(4-methylcyclohexyl) 4-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylate
CID 58650724
cyclopentanecarboxylic acid
CID 18840
cyclopentyl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate
CID 25094738
cyclobutyl 3-aminocyclopentane-1-carboxylate
CID 66031804
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxycarbonylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-cyclopentyloxycarbonylcyclohexane-1-carboxylic acid (CID 154411856) is 4-cyclopentyloxycarbonylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-cyclopentyloxycarbonylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-cyclopentyloxycarbonylcyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)OC2CCCC2)CC1.
What is the InChIKey of 4-cyclopentyloxycarbonylcyclohexane-1-carboxylic acid?
The InChIKey is WFVDLNXUBHJQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c14-12(15)9-5-7-10(8-6-9)13(16)17-11-3-1-2-4-11/h9-11H,1-8H2,(H,14,15).
What are the key properties of 4-cyclopentyloxycarbonylcyclohexane-1-carboxylic acid?
4-cyclopentyloxycarbonylcyclohexane-1-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxycarbonylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 154411856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).