1,2,2,3-tetramethylcyclohexane-1-carboxylic acid

C11H20O2 — CID 150924560

IUPAC1,2,2,3-tetramethylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(C)(C(=O)O)C1(C)C
InChIInChI=1S/C11H20O2/c1-8-6-5-7-11(4,9(12)13)10(8,2)3/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeyLESZAZJRVUQQBH-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.92
Rot. Bonds1

About 1,2,2,3-tetramethylcyclohexane-1-carboxylic acid

1,2,2,3-tetramethylcyclohexane-1-carboxylic acid (PubChem CID 150924560) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1,2,2,3-tetramethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1,2,2,3-tetramethylcyclohexane-1-carboxylic acid
PubChem CID150924560
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1,2,2,3-tetramethylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(C)(C(=O)O)C1(C)C
InChIInChI=1S/C11H20O2/c1-8-6-5-7-11(4,9(12)13)10(8,2)3/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeyLESZAZJRVUQQBH-UHFFFAOYSA-N
XLogP2.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,2,3-tetramethylcyclohexane-1-carbonyl chloride
CID 156649181
3-amino-2-hydroxy-1,2-dimethylcyclohexane-1-carboxylic acid
CID 67284908
trans-(1S,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylate
CID 7054090
1,2,2,3-tetramethylcyclohexan-1-ol;titanium
CID 151433332
3-hydroxy-1,3-bis(1,2,2,3-tetramethylcyclopentyl)prop-2-en-1-one
CID 2724557
(1S)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 11805005
2-methyl-1-(oxan-4-yl)cyclopentane-1-carboxylic acid
CID 130992604
(E)-2-(1,2-dimethylcyclopentyl)but-2-enedioic acid
CID 135353629
methyl-bis(1,2,2,3-tetramethylcyclopentanecarbonyl)azanium chloride
CID 2750729
1,2,2,3-tetramethylcyclopentane-1-carbonyl cyanide
CID 130030129
2,2,3-trimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxylic acid
CID 175248557
3-methoxycyclohexane-1,1-dicarboxylic acid
CID 18968479

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3-tetramethylcyclohexane-1-carboxylic acid?
The IUPAC name of 1,2,2,3-tetramethylcyclohexane-1-carboxylic acid (CID 150924560) is 1,2,2,3-tetramethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1,2,2,3-tetramethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1,2,2,3-tetramethylcyclohexane-1-carboxylic acid is CC1CCCC(C)(C(=O)O)C1(C)C.
What is the InChIKey of 1,2,2,3-tetramethylcyclohexane-1-carboxylic acid?
The InChIKey is LESZAZJRVUQQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-8-6-5-7-11(4,9(12)13)10(8,2)3/h8H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 1,2,2,3-tetramethylcyclohexane-1-carboxylic acid?
1,2,2,3-tetramethylcyclohexane-1-carboxylic acid has a molecular weight of 184.28 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3-tetramethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 150924560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).