5-(4-methylcyclohexyl)-5-oxopentanoic acid

C12H20O3 — CID 10632337

IUPAC5-(4-methylcyclohexyl)-5-oxopentanoic acid
SMILESCC1CCC(C(=O)CCCC(=O)O)CC1
InChIInChI=1S/C12H20O3/c1-9-5-7-10(8-6-9)11(13)3-2-4-12(14)15/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeyQPEBOUXRMDEXCZ-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.64
Rot. Bonds5

About 5-(4-methylcyclohexyl)-5-oxopentanoic acid

5-(4-methylcyclohexyl)-5-oxopentanoic acid (PubChem CID 10632337) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 5-(4-methylcyclohexyl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(4-methylcyclohexyl)-5-oxopentanoic acid
PubChem CID10632337
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name5-(4-methylcyclohexyl)-5-oxopentanoic acid
SMILESCC1CCC(C(=O)CCCC(=O)O)CC1
InChIInChI=1S/C12H20O3/c1-9-5-7-10(8-6-9)11(13)3-2-4-12(14)15/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeyQPEBOUXRMDEXCZ-UHFFFAOYSA-N
XLogP2.64
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylcyclohexyl)-5-oxopentanoic acid?
The IUPAC name of 5-(4-methylcyclohexyl)-5-oxopentanoic acid (CID 10632337) is 5-(4-methylcyclohexyl)-5-oxopentanoic acid.
What is the SMILES notation for 5-(4-methylcyclohexyl)-5-oxopentanoic acid?
The canonical SMILES for 5-(4-methylcyclohexyl)-5-oxopentanoic acid is CC1CCC(C(=O)CCCC(=O)O)CC1.
What is the InChIKey of 5-(4-methylcyclohexyl)-5-oxopentanoic acid?
The InChIKey is QPEBOUXRMDEXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-9-5-7-10(8-6-9)11(13)3-2-4-12(14)15/h9-10H,2-8H2,1H3,(H,14,15).
What are the key properties of 5-(4-methylcyclohexyl)-5-oxopentanoic acid?
5-(4-methylcyclohexyl)-5-oxopentanoic acid has a molecular weight of 212.29 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylcyclohexyl)-5-oxopentanoic acid is sourced from PubChem (CID 10632337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).