4-hydroxy-5-propan-2-ylcyclohexane-1,3-dicarboxylic acid

C11H18O5 — CID 168747858

IUPAC4-hydroxy-5-propan-2-ylcyclohexane-1,3-dicarboxylic acid
SMILESCC(C)C1CC(C(=O)O)CC(C(=O)O)C1O
InChIInChI=1S/C11H18O5/c1-5(2)7-3-6(10(13)14)4-8(9(7)12)11(15)16/h5-9,12H,3-4H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyGMUCYTWIFIZSIA-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.81
Rot. Bonds3

About 4-hydroxy-5-propan-2-ylcyclohexane-1,3-dicarboxylic acid

4-hydroxy-5-propan-2-ylcyclohexane-1,3-dicarboxylic acid (PubChem CID 168747858) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-hydroxy-5-propan-2-ylcyclohexane-1,3-dicarboxylic acid.

Molecular Properties

Compound Name4-hydroxy-5-propan-2-ylcyclohexane-1,3-dicarboxylic acid
PubChem CID168747858
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name4-hydroxy-5-propan-2-ylcyclohexane-1,3-dicarboxylic acid
SMILESCC(C)C1CC(C(=O)O)CC(C(=O)O)C1O
InChIInChI=1S/C11H18O5/c1-5(2)7-3-6(10(13)14)4-8(9(7)12)11(15)16/h5-9,12H,3-4H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyGMUCYTWIFIZSIA-UHFFFAOYSA-N
XLogP0.81
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2S)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 59617928
2,3-dihydroxycyclobutane-1-carboxylic acid
CID 174933453
(1R,2S,4R,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylic acid
CID 68905410
cis-(1R,2S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol
CID 162463333
3-methylcyclobutane-1-carboxylic acid
CID 3044406
3,5-bis(1-cyclohexylethyl)-2-hydroxycyclohexane-1-carboxylic acid
CID 140526679
5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 66645461
(1R,3S,4S)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid
CID 135389555
(1S,3S,4R)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid
CID 160545951
(3R,4S)-4-propan-2-ylpyrrolidine-3-carboxylic acid
CID 7146007
3,6-dimethylcycloheptane-1-carboxylic acid
CID 59898167
(1R)-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 59877468

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-propan-2-ylcyclohexane-1,3-dicarboxylic acid?
The IUPAC name of 4-hydroxy-5-propan-2-ylcyclohexane-1,3-dicarboxylic acid (CID 168747858) is 4-hydroxy-5-propan-2-ylcyclohexane-1,3-dicarboxylic acid.
What is the SMILES notation for 4-hydroxy-5-propan-2-ylcyclohexane-1,3-dicarboxylic acid?
The canonical SMILES for 4-hydroxy-5-propan-2-ylcyclohexane-1,3-dicarboxylic acid is CC(C)C1CC(C(=O)O)CC(C(=O)O)C1O.
What is the InChIKey of 4-hydroxy-5-propan-2-ylcyclohexane-1,3-dicarboxylic acid?
The InChIKey is GMUCYTWIFIZSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-5(2)7-3-6(10(13)14)4-8(9(7)12)11(15)16/h5-9,12H,3-4H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 4-hydroxy-5-propan-2-ylcyclohexane-1,3-dicarboxylic acid?
4-hydroxy-5-propan-2-ylcyclohexane-1,3-dicarboxylic acid has a molecular weight of 230.26 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-propan-2-ylcyclohexane-1,3-dicarboxylic acid is sourced from PubChem (CID 168747858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).