1,2,3,4-tetramethylcyclohexane-1,2,3,4-tetracarboxylic acid

C14H20O8 — CID 175458991

IUPAC1,2,3,4-tetramethylcyclohexane-1,2,3,4-tetracarboxylic acid
SMILESCC1(C(=O)O)CCC(C)(C(=O)O)C(C)(C(=O)O)C1(C)C(=O)O
InChIInChI=1S/C14H20O8/c1-11(7(15)16)5-6-12(2,8(17)18)14(4,10(21)22)13(11,3)9(19)20/h5-6H2,1-4H3,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKeyPCQXUANYPKPWIN-UHFFFAOYSA-N
MW316.31 g/mol
LogP1.14
Rot. Bonds4

About 1,2,3,4-tetramethylcyclohexane-1,2,3,4-tetracarboxylic acid

1,2,3,4-tetramethylcyclohexane-1,2,3,4-tetracarboxylic acid (PubChem CID 175458991) has the molecular formula C14H20O8 and a molecular weight of 316.31 g/mol. Its IUPAC name is 1,2,3,4-tetramethylcyclohexane-1,2,3,4-tetracarboxylic acid.

Molecular Properties

Compound Name1,2,3,4-tetramethylcyclohexane-1,2,3,4-tetracarboxylic acid
PubChem CID175458991
Molecular FormulaC14H20O8
Molecular Weight316.31 g/mol
Exact Mass316.12
IUPAC Name1,2,3,4-tetramethylcyclohexane-1,2,3,4-tetracarboxylic acid
SMILESCC1(C(=O)O)CCC(C)(C(=O)O)C(C)(C(=O)O)C1(C)C(=O)O
InChIInChI=1S/C14H20O8/c1-11(7(15)16)5-6-12(2,8(17)18)14(4,10(21)22)13(11,3)9(19)20/h5-6H2,1-4H3,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKeyPCQXUANYPKPWIN-UHFFFAOYSA-N
XLogP1.14
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2,2-difluoro-1-methylcyclopropane-1-carboxylic acid
CID 86313116
cis-(1R,3R)-3-amino-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid
CID 99989227
3-amino-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid
CID 102568279
1,2,3,3-tetramethylcyclopropane-1,2-dicarboxylic acid
CID 21453253
trans-(1S,3S)-1-bromo-2,2,3-trimethylcyclopentane-1,3-dicarboxylic acid
CID 927623
(1S)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 11805005
(1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylic acid
CID 7003716
cis-(1S,2R)-1,2-dimethyl-4-oxocyclopentane-1,2-dicarboxylic acid
CID 67620806
trans-(1S,3R)-1-(2,2,3,3,4,4,4-heptafluorobutanoyl)-2,2,3-trimethylcyclopentane-1,3-dicarboxylic acid
CID 170924192
1,2,2-trimethylcyclohex-3-ene-1-carboxylic acid
CID 90472881
1,2,3-trimethylcyclobutane-1,2-dicarboxylic acid
CID 20525202
1,2,2,3-tetramethylcyclohexane-1-carboxylic acid
CID 150924560

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetramethylcyclohexane-1,2,3,4-tetracarboxylic acid?
The IUPAC name of 1,2,3,4-tetramethylcyclohexane-1,2,3,4-tetracarboxylic acid (CID 175458991) is 1,2,3,4-tetramethylcyclohexane-1,2,3,4-tetracarboxylic acid.
What is the SMILES notation for 1,2,3,4-tetramethylcyclohexane-1,2,3,4-tetracarboxylic acid?
The canonical SMILES for 1,2,3,4-tetramethylcyclohexane-1,2,3,4-tetracarboxylic acid is CC1(C(=O)O)CCC(C)(C(=O)O)C(C)(C(=O)O)C1(C)C(=O)O.
What is the InChIKey of 1,2,3,4-tetramethylcyclohexane-1,2,3,4-tetracarboxylic acid?
The InChIKey is PCQXUANYPKPWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O8/c1-11(7(15)16)5-6-12(2,8(17)18)14(4,10(21)22)13(11,3)9(19)20/h5-6H2,1-4H3,(H,15,16)(H,17,18)(H,19,20)(H,21,22).
What are the key properties of 1,2,3,4-tetramethylcyclohexane-1,2,3,4-tetracarboxylic acid?
1,2,3,4-tetramethylcyclohexane-1,2,3,4-tetracarboxylic acid has a molecular weight of 316.31 g/mol, XLogP of 1.14, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetramethylcyclohexane-1,2,3,4-tetracarboxylic acid is sourced from PubChem (CID 175458991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).