4,4-dimethylcyclohexene-1-carboxylic acid

C9H14O2 — CID 23024225

IUPAC4,4-dimethylcyclohexene-1-carboxylic acid
SMILESCC1(C)CC=C(C(=O)O)CC1
InChIInChI=1S/C9H14O2/c1-9(2)5-3-7(4-6-9)8(10)11/h3H,4-6H2,1-2H3,(H,10,11)
InChIKeyOXCYCTSYDXQETH-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.21
Rot. Bonds1

About 4,4-dimethylcyclohexene-1-carboxylic acid

4,4-dimethylcyclohexene-1-carboxylic acid (PubChem CID 23024225) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 4,4-dimethylcyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name4,4-dimethylcyclohexene-1-carboxylic acid
PubChem CID23024225
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name4,4-dimethylcyclohexene-1-carboxylic acid
SMILESCC1(C)CC=C(C(=O)O)CC1
InChIInChI=1S/C9H14O2/c1-9(2)5-3-7(4-6-9)8(10)11/h3H,4-6H2,1-2H3,(H,10,11)
InChIKeyOXCYCTSYDXQETH-UHFFFAOYSA-N
XLogP2.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Perillic Acid
CID 1256
2,5-Norbornadiene-2,3-dicarboxylic acid
CID 139991
1-Cyclohexene-1-carboxylic acid
CID 69470
(S)-Oleuropeic acid
CID 12313716
Oleuropeic acid
CID 188320
(S)-(-)-Perillic acid
CID 2724160
Perillic Acid (-)
CID 5702197
4-Methylcyclohex-1-ene-1-carboxylic acid
CID 219389
2,6,6-Trimethylcyclohexene-1-carboxylic acid
CID 3013889
Myrtenic acid
CID 86840
Bicyclo(2.2.1)hept-2-ene-2-carboxylic acid
CID 281894
6-Methylcyclohex-1-ene-1-carboxylic acid
CID 10888002

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylcyclohexene-1-carboxylic acid?
The IUPAC name of 4,4-dimethylcyclohexene-1-carboxylic acid (CID 23024225) is 4,4-dimethylcyclohexene-1-carboxylic acid.
What is the SMILES notation for 4,4-dimethylcyclohexene-1-carboxylic acid?
The canonical SMILES for 4,4-dimethylcyclohexene-1-carboxylic acid is CC1(C)CC=C(C(=O)O)CC1.
What is the InChIKey of 4,4-dimethylcyclohexene-1-carboxylic acid?
The InChIKey is OXCYCTSYDXQETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-9(2)5-3-7(4-6-9)8(10)11/h3H,4-6H2,1-2H3,(H,10,11).
What are the key properties of 4,4-dimethylcyclohexene-1-carboxylic acid?
4,4-dimethylcyclohexene-1-carboxylic acid has a molecular weight of 154.21 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylcyclohexene-1-carboxylic acid is sourced from PubChem (CID 23024225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).