4-cyclohexyl-4-oxobutanoic acid

C10H16O3 — CID 10797582

IUPAC4-cyclohexyl-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)C1CCCCC1
InChIInChI=1S/C10H16O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h8H,1-7H2,(H,12,13)
InChIKeyAIWROPDBVWQZOH-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.00
Rot. Bonds4

About 4-cyclohexyl-4-oxobutanoic acid

4-cyclohexyl-4-oxobutanoic acid (PubChem CID 10797582) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 4-cyclohexyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-cyclohexyl-4-oxobutanoic acid
PubChem CID10797582
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name4-cyclohexyl-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)C1CCCCC1
InChIInChI=1S/C10H16O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h8H,1-7H2,(H,12,13)
InChIKeyAIWROPDBVWQZOH-UHFFFAOYSA-N
XLogP2.00
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-4-oxobutanoic acid?
The IUPAC name of 4-cyclohexyl-4-oxobutanoic acid (CID 10797582) is 4-cyclohexyl-4-oxobutanoic acid.
What is the SMILES notation for 4-cyclohexyl-4-oxobutanoic acid?
The canonical SMILES for 4-cyclohexyl-4-oxobutanoic acid is O=C(O)CCC(=O)C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-4-oxobutanoic acid?
The InChIKey is AIWROPDBVWQZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h8H,1-7H2,(H,12,13).
What are the key properties of 4-cyclohexyl-4-oxobutanoic acid?
4-cyclohexyl-4-oxobutanoic acid has a molecular weight of 184.23 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-4-oxobutanoic acid is sourced from PubChem (CID 10797582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).