4-(2-oxocyclohexyl)butanoic acid

C10H16O3 — CID 10559385

IUPAC4-(2-oxocyclohexyl)butanoic acid
SMILESO=C(O)CCCC1CCCCC1=O
InChIInChI=1S/C10H16O3/c11-9-6-2-1-4-8(9)5-3-7-10(12)13/h8H,1-7H2,(H,12,13)
InChIKeyHFBXIQKLVPRBAO-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.00
Rot. Bonds4

About 4-(2-oxocyclohexyl)butanoic acid

4-(2-oxocyclohexyl)butanoic acid (PubChem CID 10559385) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 4-(2-oxocyclohexyl)butanoic acid.

Molecular Properties

Compound Name4-(2-oxocyclohexyl)butanoic acid
PubChem CID10559385
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name4-(2-oxocyclohexyl)butanoic acid
SMILESO=C(O)CCCC1CCCCC1=O
InChIInChI=1S/C10H16O3/c11-9-6-2-1-4-8(9)5-3-7-10(12)13/h8H,1-7H2,(H,12,13)
InChIKeyHFBXIQKLVPRBAO-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-(2-oxocyclohexyl)butanoic acid?
The IUPAC name of 4-(2-oxocyclohexyl)butanoic acid (CID 10559385) is 4-(2-oxocyclohexyl)butanoic acid.
What is the SMILES notation for 4-(2-oxocyclohexyl)butanoic acid?
The canonical SMILES for 4-(2-oxocyclohexyl)butanoic acid is O=C(O)CCCC1CCCCC1=O.
What is the InChIKey of 4-(2-oxocyclohexyl)butanoic acid?
The InChIKey is HFBXIQKLVPRBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c11-9-6-2-1-4-8(9)5-3-7-10(12)13/h8H,1-7H2,(H,12,13).
What are the key properties of 4-(2-oxocyclohexyl)butanoic acid?
4-(2-oxocyclohexyl)butanoic 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-(2-oxocyclohexyl)butanoic acid is sourced from PubChem (CID 10559385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).