(2Z)-2-hydroxy-2-(2-oxocyclohexylidene)acetic acid

C8H10O4 — CID 91692308

IUPAC(2Z)-2-hydroxy-2-(2-oxocyclohexylidene)acetic acid
SMILESO=C(O)/C(O)=C1\CCCCC1=O
InChIInChI=1S/C8H10O4/c9-6-4-2-1-3-5(6)7(10)8(11)12/h10H,1-4H2,(H,11,12)/b7-5-
InChIKeyXBCBXUMOSIGDCP-ALCCZGGFSA-N
MW170.16 g/mol
LogP1.03
Rot. Bonds1

About (2Z)-2-hydroxy-2-(2-oxocyclohexylidene)acetic acid

(2Z)-2-hydroxy-2-(2-oxocyclohexylidene)acetic acid (PubChem CID 91692308) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is (2Z)-2-hydroxy-2-(2-oxocyclohexylidene)acetic acid.

Molecular Properties

Compound Name(2Z)-2-hydroxy-2-(2-oxocyclohexylidene)acetic acid
PubChem CID91692308
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name(2Z)-2-hydroxy-2-(2-oxocyclohexylidene)acetic acid
SMILESO=C(O)/C(O)=C1\CCCCC1=O
InChIInChI=1S/C8H10O4/c9-6-4-2-1-3-5(6)7(10)8(11)12/h10H,1-4H2,(H,11,12)/b7-5-
InChIKeyXBCBXUMOSIGDCP-ALCCZGGFSA-N
XLogP1.03
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-hydroxy-2-(2-oxocyclohexylidene)acetic acid?
The IUPAC name of (2Z)-2-hydroxy-2-(2-oxocyclohexylidene)acetic acid (CID 91692308) is (2Z)-2-hydroxy-2-(2-oxocyclohexylidene)acetic acid.
What is the SMILES notation for (2Z)-2-hydroxy-2-(2-oxocyclohexylidene)acetic acid?
The canonical SMILES for (2Z)-2-hydroxy-2-(2-oxocyclohexylidene)acetic acid is O=C(O)/C(O)=C1\CCCCC1=O.
What is the InChIKey of (2Z)-2-hydroxy-2-(2-oxocyclohexylidene)acetic acid?
The InChIKey is XBCBXUMOSIGDCP-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H10O4/c9-6-4-2-1-3-5(6)7(10)8(11)12/h10H,1-4H2,(H,11,12)/b7-5-.
What are the key properties of (2Z)-2-hydroxy-2-(2-oxocyclohexylidene)acetic acid?
(2Z)-2-hydroxy-2-(2-oxocyclohexylidene)acetic acid has a molecular weight of 170.16 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydroxy-2-(2-oxocyclohexylidene)acetic acid is sourced from PubChem (CID 91692308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).