3,5-dimethylcyclohexene-1,2-dicarboxylic acid

C10H14O4 — CID 4649406

IUPAC3,5-dimethylcyclohexene-1,2-dicarboxylic acid
SMILESCC1CC(C(=O)O)=C(C(=O)O)C(C)C1
InChIInChI=1S/C10H14O4/c1-5-3-6(2)8(10(13)14)7(4-5)9(11)12/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyBXEHASASRLOLKY-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.52
Rot. Bonds2

About 3,5-dimethylcyclohexene-1,2-dicarboxylic acid

3,5-dimethylcyclohexene-1,2-dicarboxylic acid (PubChem CID 4649406) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3,5-dimethylcyclohexene-1,2-dicarboxylic acid.

Molecular Properties

Compound Name3,5-dimethylcyclohexene-1,2-dicarboxylic acid
PubChem CID4649406
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name3,5-dimethylcyclohexene-1,2-dicarboxylic acid
SMILESCC1CC(C(=O)O)=C(C(=O)O)C(C)C1
InChIInChI=1S/C10H14O4/c1-5-3-6(2)8(10(13)14)7(4-5)9(11)12/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyBXEHASASRLOLKY-UHFFFAOYSA-N
XLogP1.52
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Perillic Acid
CID 1256
2,5-Norbornadiene-2,3-dicarboxylic acid
CID 139991
3,4,5,6-Tetrahydrophthalic acid
CID 6958
(S)-(-)-Perillic acid
CID 2724160
Perillic Acid (-)
CID 5702197
2,6,6-Trimethylcyclohexene-1-carboxylic acid
CID 3013889
Bicyclo[2.2.1]hept-2-ene-2,3-dicarboxylic acid
CID 315174
4-Methylcyclohex-1-ene-1-carboxylic acid
CID 219389
6-Methylcyclohex-1-ene-1-carboxylic acid
CID 10888002
2,4,4-Trimethyl-1-cyclohexene-1-carboxylic acid
CID 11095026
Chaetomellic Acid C
CID 10402440
(4R,4aS,8aR)-3,4,4a,7,8,8a-Hexahydro-6-methyl-4-(1-methylethyl)-1-naphthalenecarboxylic acid
CID 442392

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylcyclohexene-1,2-dicarboxylic acid?
The IUPAC name of 3,5-dimethylcyclohexene-1,2-dicarboxylic acid (CID 4649406) is 3,5-dimethylcyclohexene-1,2-dicarboxylic acid.
What is the SMILES notation for 3,5-dimethylcyclohexene-1,2-dicarboxylic acid?
The canonical SMILES for 3,5-dimethylcyclohexene-1,2-dicarboxylic acid is CC1CC(C(=O)O)=C(C(=O)O)C(C)C1.
What is the InChIKey of 3,5-dimethylcyclohexene-1,2-dicarboxylic acid?
The InChIKey is BXEHASASRLOLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-5-3-6(2)8(10(13)14)7(4-5)9(11)12/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 3,5-dimethylcyclohexene-1,2-dicarboxylic acid?
3,5-dimethylcyclohexene-1,2-dicarboxylic acid has a molecular weight of 198.22 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylcyclohexene-1,2-dicarboxylic acid is sourced from PubChem (CID 4649406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).