1-hydroxy-2,2-dimethylcyclohexane-1-carboxylic acid

C9H16O3 — CID 79853126

IUPAC1-hydroxy-2,2-dimethylcyclohexane-1-carboxylic acid
SMILESCC1(C)CCCCC1(O)C(=O)O
InChIInChI=1S/C9H16O3/c1-8(2)5-3-4-6-9(8,12)7(10)11/h12H,3-6H2,1-2H3,(H,10,11)
InChIKeyRXXRZNWUNUCRAH-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.40
Rot. Bonds1

About 1-hydroxy-2,2-dimethylcyclohexane-1-carboxylic acid

1-hydroxy-2,2-dimethylcyclohexane-1-carboxylic acid (PubChem CID 79853126) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 1-hydroxy-2,2-dimethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-2,2-dimethylcyclohexane-1-carboxylic acid
PubChem CID79853126
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name1-hydroxy-2,2-dimethylcyclohexane-1-carboxylic acid
SMILESCC1(C)CCCCC1(O)C(=O)O
InChIInChI=1S/C9H16O3/c1-8(2)5-3-4-6-9(8,12)7(10)11/h12H,3-6H2,1-2H3,(H,10,11)
InChIKeyRXXRZNWUNUCRAH-UHFFFAOYSA-N
XLogP1.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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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Related Compounds

(1S)-1-hydroxy-2,2-dimethylcyclopropane-1-carboxylic acid
CID 10909599
7-hydroxyspiro[2.4]heptane-7-carboxylic acid
CID 83905217
(1S)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 11805005
2-(2,2-dimethylpropoxycarbonyl)-1,2-dihydroxycyclohexane-1-carboxylic acid
CID 23321098
1-(hydroxymethyl)-2,2-dimethylcyclohexan-1-ol
CID 45083258
2,2-dimethylcyclooctane-1,1-diol
CID 90109064
1-[(1-hydroxycyclopentyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid
CID 79429318
1,2-dimethylpiperidine-2-carboxylic acid
CID 73440704
2,2-dimethyl-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79856584
2-(1-hydroxy-2,2-dimethylcyclohexyl)butanoic acid
CID 79852603
1,6,6-trimethylcycloundecane-1-carboxylic acid
CID 70908763
6-methylbicyclo[4.1.0]heptane-1-carboxylic acid
CID 134896237

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2-dimethylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-hydroxy-2,2-dimethylcyclohexane-1-carboxylic acid (CID 79853126) is 1-hydroxy-2,2-dimethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-hydroxy-2,2-dimethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-hydroxy-2,2-dimethylcyclohexane-1-carboxylic acid is CC1(C)CCCCC1(O)C(=O)O.
What is the InChIKey of 1-hydroxy-2,2-dimethylcyclohexane-1-carboxylic acid?
The InChIKey is RXXRZNWUNUCRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-8(2)5-3-4-6-9(8,12)7(10)11/h12H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 1-hydroxy-2,2-dimethylcyclohexane-1-carboxylic acid?
1-hydroxy-2,2-dimethylcyclohexane-1-carboxylic acid has a molecular weight of 172.22 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2-dimethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 79853126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).