4-hydroxy-1-(1-hydroxypropan-2-yl)cyclohexane-1-carboxylic acid

C10H18O4 — CID 130531637

IUPAC4-hydroxy-1-(1-hydroxypropan-2-yl)cyclohexane-1-carboxylic acid
SMILESCC(CO)C1(C(=O)O)CCC(O)CC1
InChIInChI=1S/C10H18O4/c1-7(6-11)10(9(13)14)4-2-8(12)3-5-10/h7-8,11-12H,2-6H2,1H3,(H,13,14)
InChIKeyRIOGQPZZORHKJG-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.62
Rot. Bonds3

About 4-hydroxy-1-(1-hydroxypropan-2-yl)cyclohexane-1-carboxylic acid

4-hydroxy-1-(1-hydroxypropan-2-yl)cyclohexane-1-carboxylic acid (PubChem CID 130531637) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4-hydroxy-1-(1-hydroxypropan-2-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(1-hydroxypropan-2-yl)cyclohexane-1-carboxylic acid
PubChem CID130531637
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name4-hydroxy-1-(1-hydroxypropan-2-yl)cyclohexane-1-carboxylic acid
SMILESCC(CO)C1(C(=O)O)CCC(O)CC1
InChIInChI=1S/C10H18O4/c1-7(6-11)10(9(13)14)4-2-8(12)3-5-10/h7-8,11-12H,2-6H2,1H3,(H,13,14)
InChIKeyRIOGQPZZORHKJG-UHFFFAOYSA-N
XLogP0.62
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(1-hydroxypropan-2-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(1-hydroxypropan-2-yl)cyclohexane-1-carboxylic acid (CID 130531637) is 4-hydroxy-1-(1-hydroxypropan-2-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(1-hydroxypropan-2-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(1-hydroxypropan-2-yl)cyclohexane-1-carboxylic acid is CC(CO)C1(C(=O)O)CCC(O)CC1.
What is the InChIKey of 4-hydroxy-1-(1-hydroxypropan-2-yl)cyclohexane-1-carboxylic acid?
The InChIKey is RIOGQPZZORHKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-7(6-11)10(9(13)14)4-2-8(12)3-5-10/h7-8,11-12H,2-6H2,1H3,(H,13,14).
What are the key properties of 4-hydroxy-1-(1-hydroxypropan-2-yl)cyclohexane-1-carboxylic acid?
4-hydroxy-1-(1-hydroxypropan-2-yl)cyclohexane-1-carboxylic acid has a molecular weight of 202.25 g/mol, XLogP of 0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(1-hydroxypropan-2-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 130531637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).