2-cyclohexyl-2-hydroxypropanoic acid

C9H16O3 — CID 13045943

IUPAC2-cyclohexyl-2-hydroxypropanoic acid
SMILESCC(O)(C(=O)O)C1CCCCC1
InChIInChI=1S/C9H16O3/c1-9(12,8(10)11)7-5-3-2-4-6-7/h7,12H,2-6H2,1H3,(H,10,11)
InChIKeyRESQFTBCGMPJBH-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.40
Rot. Bonds2

About 2-cyclohexyl-2-hydroxypropanoic acid

2-cyclohexyl-2-hydroxypropanoic acid (PubChem CID 13045943) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-cyclohexyl-2-hydroxypropanoic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-hydroxypropanoic acid
PubChem CID13045943
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-cyclohexyl-2-hydroxypropanoic acid
SMILESCC(O)(C(=O)O)C1CCCCC1
InChIInChI=1S/C9H16O3/c1-9(12,8(10)11)7-5-3-2-4-6-7/h7,12H,2-6H2,1H3,(H,10,11)
InChIKeyRESQFTBCGMPJBH-UHFFFAOYSA-N
XLogP1.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-hydroxypropanoic acid?
The IUPAC name of 2-cyclohexyl-2-hydroxypropanoic acid (CID 13045943) is 2-cyclohexyl-2-hydroxypropanoic acid.
What is the SMILES notation for 2-cyclohexyl-2-hydroxypropanoic acid?
The canonical SMILES for 2-cyclohexyl-2-hydroxypropanoic acid is CC(O)(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-hydroxypropanoic acid?
The InChIKey is RESQFTBCGMPJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-9(12,8(10)11)7-5-3-2-4-6-7/h7,12H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-cyclohexyl-2-hydroxypropanoic acid?
2-cyclohexyl-2-hydroxypropanoic acid has a molecular weight of 172.22 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-hydroxypropanoic acid is sourced from PubChem (CID 13045943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).