2-hydroxy-2-(2-oxocyclohexyl)acetic acid

C8H12O4 — CID 11008383

IUPAC2-hydroxy-2-(2-oxocyclohexyl)acetic acid
SMILESO=C(O)C(O)C1CCCCC1=O
InChIInChI=1S/C8H12O4/c9-6-4-2-1-3-5(6)7(10)8(11)12/h5,7,10H,1-4H2,(H,11,12)
InChIKeyDCUDYXKQZWYTED-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.19
Rot. Bonds2

About 2-hydroxy-2-(2-oxocyclohexyl)acetic acid

2-hydroxy-2-(2-oxocyclohexyl)acetic acid (PubChem CID 11008383) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-hydroxy-2-(2-oxocyclohexyl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(2-oxocyclohexyl)acetic acid
PubChem CID11008383
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name2-hydroxy-2-(2-oxocyclohexyl)acetic acid
SMILESO=C(O)C(O)C1CCCCC1=O
InChIInChI=1S/C8H12O4/c9-6-4-2-1-3-5(6)7(10)8(11)12/h5,7,10H,1-4H2,(H,11,12)
InChIKeyDCUDYXKQZWYTED-UHFFFAOYSA-N
XLogP0.19
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(2-oxocyclohexyl)acetic acid?
The IUPAC name of 2-hydroxy-2-(2-oxocyclohexyl)acetic acid (CID 11008383) is 2-hydroxy-2-(2-oxocyclohexyl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(2-oxocyclohexyl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(2-oxocyclohexyl)acetic acid is O=C(O)C(O)C1CCCCC1=O.
What is the InChIKey of 2-hydroxy-2-(2-oxocyclohexyl)acetic acid?
The InChIKey is DCUDYXKQZWYTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c9-6-4-2-1-3-5(6)7(10)8(11)12/h5,7,10H,1-4H2,(H,11,12).
What are the key properties of 2-hydroxy-2-(2-oxocyclohexyl)acetic acid?
2-hydroxy-2-(2-oxocyclohexyl)acetic acid has a molecular weight of 172.18 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(2-oxocyclohexyl)acetic acid is sourced from PubChem (CID 11008383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).