2-(1-hydroxycyclohex-2-en-1-yl)butanoic acid

C10H16O3 — CID 66037878

IUPAC2-(1-hydroxycyclohex-2-en-1-yl)butanoic acid
SMILESCCC(C(=O)O)C1(O)C=CCCC1
InChIInChI=1S/C10H16O3/c1-2-8(9(11)12)10(13)6-4-3-5-7-10/h4,6,8,13H,2-3,5,7H2,1H3,(H,11,12)
InChIKeyJOJGIAZNNUCJPS-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.57
Rot. Bonds3

About 2-(1-hydroxycyclohex-2-en-1-yl)butanoic acid

2-(1-hydroxycyclohex-2-en-1-yl)butanoic acid (PubChem CID 66037878) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-(1-hydroxycyclohex-2-en-1-yl)butanoic acid.

Molecular Properties

Compound Name2-(1-hydroxycyclohex-2-en-1-yl)butanoic acid
PubChem CID66037878
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-(1-hydroxycyclohex-2-en-1-yl)butanoic acid
SMILESCCC(C(=O)O)C1(O)C=CCCC1
InChIInChI=1S/C10H16O3/c1-2-8(9(11)12)10(13)6-4-3-5-7-10/h4,6,8,13H,2-3,5,7H2,1H3,(H,11,12)
InChIKeyJOJGIAZNNUCJPS-UHFFFAOYSA-N
XLogP1.57
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohex-2-en-1-yl)butanoic acid?
The IUPAC name of 2-(1-hydroxycyclohex-2-en-1-yl)butanoic acid (CID 66037878) is 2-(1-hydroxycyclohex-2-en-1-yl)butanoic acid.
What is the SMILES notation for 2-(1-hydroxycyclohex-2-en-1-yl)butanoic acid?
The canonical SMILES for 2-(1-hydroxycyclohex-2-en-1-yl)butanoic acid is CCC(C(=O)O)C1(O)C=CCCC1.
What is the InChIKey of 2-(1-hydroxycyclohex-2-en-1-yl)butanoic acid?
The InChIKey is JOJGIAZNNUCJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-8(9(11)12)10(13)6-4-3-5-7-10/h4,6,8,13H,2-3,5,7H2,1H3,(H,11,12).
What are the key properties of 2-(1-hydroxycyclohex-2-en-1-yl)butanoic acid?
2-(1-hydroxycyclohex-2-en-1-yl)butanoic acid has a molecular weight of 184.23 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohex-2-en-1-yl)butanoic acid is sourced from PubChem (CID 66037878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).