1-cyclohexyloxycarbonylcyclopentane-1-carboxylic acid

C13H20O4 — CID 90449500

IUPAC1-cyclohexyloxycarbonylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)OC2CCCCC2)CCCC1
InChIInChI=1S/C13H20O4/c14-11(15)13(8-4-5-9-13)12(16)17-10-6-2-1-3-7-10/h10H,1-9H2,(H,14,15)
InChIKeyMPEWKUHDAZADNM-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.51
Rot. Bonds3

About 1-cyclohexyloxycarbonylcyclopentane-1-carboxylic acid

1-cyclohexyloxycarbonylcyclopentane-1-carboxylic acid (PubChem CID 90449500) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-cyclohexyloxycarbonylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyloxycarbonylcyclopentane-1-carboxylic acid
PubChem CID90449500
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-cyclohexyloxycarbonylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)OC2CCCCC2)CCCC1
InChIInChI=1S/C13H20O4/c14-11(15)13(8-4-5-9-13)12(16)17-10-6-2-1-3-7-10/h10H,1-9H2,(H,14,15)
InChIKeyMPEWKUHDAZADNM-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxycarbonylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-cyclohexyloxycarbonylcyclopentane-1-carboxylic acid (CID 90449500) is 1-cyclohexyloxycarbonylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-cyclohexyloxycarbonylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-cyclohexyloxycarbonylcyclopentane-1-carboxylic acid is O=C(O)C1(C(=O)OC2CCCCC2)CCCC1.
What is the InChIKey of 1-cyclohexyloxycarbonylcyclopentane-1-carboxylic acid?
The InChIKey is MPEWKUHDAZADNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c14-11(15)13(8-4-5-9-13)12(16)17-10-6-2-1-3-7-10/h10H,1-9H2,(H,14,15).
What are the key properties of 1-cyclohexyloxycarbonylcyclopentane-1-carboxylic acid?
1-cyclohexyloxycarbonylcyclopentane-1-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxycarbonylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 90449500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).