1-(1-cyclopentylcyclohexyl)oxycarbonylcyclopentane-1-carboxylic acid

C18H28O4 — CID 170443098

IUPAC1-(1-cyclopentylcyclohexyl)oxycarbonylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)OC2(C3CCCC3)CCCCC2)CCCC1
InChIInChI=1S/C18H28O4/c19-15(20)17(10-6-7-11-17)16(21)22-18(12-4-1-5-13-18)14-8-2-3-9-14/h14H,1-13H2,(H,19,20)
InChIKeyHVQHHWFCAPEXGD-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.07
Rot. Bonds4

About 1-(1-cyclopentylcyclohexyl)oxycarbonylcyclopentane-1-carboxylic acid

1-(1-cyclopentylcyclohexyl)oxycarbonylcyclopentane-1-carboxylic acid (PubChem CID 170443098) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-(1-cyclopentylcyclohexyl)oxycarbonylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclopentylcyclohexyl)oxycarbonylcyclopentane-1-carboxylic acid
PubChem CID170443098
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Name1-(1-cyclopentylcyclohexyl)oxycarbonylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)OC2(C3CCCC3)CCCCC2)CCCC1
InChIInChI=1S/C18H28O4/c19-15(20)17(10-6-7-11-17)16(21)22-18(12-4-1-5-13-18)14-8-2-3-9-14/h14H,1-13H2,(H,19,20)
InChIKeyHVQHHWFCAPEXGD-UHFFFAOYSA-N
XLogP4.07
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.07
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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Related Compounds

(1-cyclohexylcyclopentyl) acetate
CID 12039389
1-cyclohexyloxycarbonylcyclopentane-1-carboxylic acid
CID 90449500
1-(1-hydroxycyclohexyl)oxycarbonylcyclohexane-1-carboxylic acid
CID 174614637
(1-cyclohexylcyclohexyl) benzoate
CID 54286012
(1-cyclobutylcyclopentyl) acetate
CID 177097462
(1-cyclohexylcyclopropyl) acetate
CID 91131251
cyclohexane-1,1-dicarboxylic acid
CID 70539849
cyclooctane-1,1-dicarboxylic acid
CID 18521139
cyclotritriacontane-1,1,12,12,23,23-hexacarboxylic acid
CID 132573281
1-(cyclohexanecarbonyl)cyclopentane-1-carboxylic acid
CID 71397713
3-(1-cyclohexylcyclohexyl)oxycarbonylpentanoic acid
CID 121273660
alumane;cyclohexane-1,1-dicarboxylic acid
CID 175587551

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylcyclohexyl)oxycarbonylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-(1-cyclopentylcyclohexyl)oxycarbonylcyclopentane-1-carboxylic acid (CID 170443098) is 1-(1-cyclopentylcyclohexyl)oxycarbonylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(1-cyclopentylcyclohexyl)oxycarbonylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(1-cyclopentylcyclohexyl)oxycarbonylcyclopentane-1-carboxylic acid is O=C(O)C1(C(=O)OC2(C3CCCC3)CCCCC2)CCCC1.
What is the InChIKey of 1-(1-cyclopentylcyclohexyl)oxycarbonylcyclopentane-1-carboxylic acid?
The InChIKey is HVQHHWFCAPEXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O4/c19-15(20)17(10-6-7-11-17)16(21)22-18(12-4-1-5-13-18)14-8-2-3-9-14/h14H,1-13H2,(H,19,20).
What are the key properties of 1-(1-cyclopentylcyclohexyl)oxycarbonylcyclopentane-1-carboxylic acid?
1-(1-cyclopentylcyclohexyl)oxycarbonylcyclopentane-1-carboxylic acid has a molecular weight of 308.42 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylcyclohexyl)oxycarbonylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 170443098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).