2-(4-propan-2-ylcyclohexyl)cyclopropane-1-carboxylic acid

C13H22O2 — CID 130542777

IUPAC2-(4-propan-2-ylcyclohexyl)cyclopropane-1-carboxylic acid
SMILESCC(C)C1CCC(C2CC2C(=O)O)CC1
InChIInChI=1S/C13H22O2/c1-8(2)9-3-5-10(6-4-9)11-7-12(11)13(14)15/h8-12H,3-7H2,1-2H3,(H,14,15)
InChIKeyBRHIVUNWJPFPIK-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.17
Rot. Bonds3

About 2-(4-propan-2-ylcyclohexyl)cyclopropane-1-carboxylic acid

2-(4-propan-2-ylcyclohexyl)cyclopropane-1-carboxylic acid (PubChem CID 130542777) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(4-propan-2-ylcyclohexyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-propan-2-ylcyclohexyl)cyclopropane-1-carboxylic acid
PubChem CID130542777
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-(4-propan-2-ylcyclohexyl)cyclopropane-1-carboxylic acid
SMILESCC(C)C1CCC(C2CC2C(=O)O)CC1
InChIInChI=1S/C13H22O2/c1-8(2)9-3-5-10(6-4-9)11-7-12(11)13(14)15/h8-12H,3-7H2,1-2H3,(H,14,15)
InChIKeyBRHIVUNWJPFPIK-UHFFFAOYSA-N
XLogP3.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylcyclohexyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(4-propan-2-ylcyclohexyl)cyclopropane-1-carboxylic acid (CID 130542777) is 2-(4-propan-2-ylcyclohexyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(4-propan-2-ylcyclohexyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(4-propan-2-ylcyclohexyl)cyclopropane-1-carboxylic acid is CC(C)C1CCC(C2CC2C(=O)O)CC1.
What is the InChIKey of 2-(4-propan-2-ylcyclohexyl)cyclopropane-1-carboxylic acid?
The InChIKey is BRHIVUNWJPFPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-8(2)9-3-5-10(6-4-9)11-7-12(11)13(14)15/h8-12H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-propan-2-ylcyclohexyl)cyclopropane-1-carboxylic acid?
2-(4-propan-2-ylcyclohexyl)cyclopropane-1-carboxylic acid has a molecular weight of 210.32 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylcyclohexyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 130542777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).