2,3,4,5-tetramethylcyclopenta-1,4-diene-1-carboxylic acid

C10H14O2 — CID 11805120

IUPAC2,3,4,5-tetramethylcyclopenta-1,4-diene-1-carboxylic acid
SMILESCC1=C(C)C(C)C(C)=C1C(=O)O
InChIInChI=1S/C10H14O2/c1-5-6(2)8(4)9(7(5)3)10(11)12/h5H,1-4H3,(H,11,12)
InChIKeyVKXIJBQZHZAGRY-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.37
Rot. Bonds1

About 2,3,4,5-tetramethylcyclopenta-1,4-diene-1-carboxylic acid

2,3,4,5-tetramethylcyclopenta-1,4-diene-1-carboxylic acid (PubChem CID 11805120) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2,3,4,5-tetramethylcyclopenta-1,4-diene-1-carboxylic acid.

Molecular Properties

Compound Name2,3,4,5-tetramethylcyclopenta-1,4-diene-1-carboxylic acid
PubChem CID11805120
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2,3,4,5-tetramethylcyclopenta-1,4-diene-1-carboxylic acid
SMILESCC1=C(C)C(C)C(C)=C1C(=O)O
InChIInChI=1S/C10H14O2/c1-5-6(2)8(4)9(7(5)3)10(11)12/h5H,1-4H3,(H,11,12)
InChIKeyVKXIJBQZHZAGRY-UHFFFAOYSA-N
XLogP2.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorotitanium
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(2,3-dimethyl-3H-inden-1-yl)-phenylmethanone
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3,4-dimethyl-3H-pyrrole-5-carboxylic acid
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5-amino-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylic acid
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4-methyl-2-oxocyclopent-3-ene-1,3-dicarboxylic acid
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CID 91298580
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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetramethylcyclopenta-1,4-diene-1-carboxylic acid?
The IUPAC name of 2,3,4,5-tetramethylcyclopenta-1,4-diene-1-carboxylic acid (CID 11805120) is 2,3,4,5-tetramethylcyclopenta-1,4-diene-1-carboxylic acid.
What is the SMILES notation for 2,3,4,5-tetramethylcyclopenta-1,4-diene-1-carboxylic acid?
The canonical SMILES for 2,3,4,5-tetramethylcyclopenta-1,4-diene-1-carboxylic acid is CC1=C(C)C(C)C(C)=C1C(=O)O.
What is the InChIKey of 2,3,4,5-tetramethylcyclopenta-1,4-diene-1-carboxylic acid?
The InChIKey is VKXIJBQZHZAGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-5-6(2)8(4)9(7(5)3)10(11)12/h5H,1-4H3,(H,11,12).
What are the key properties of 2,3,4,5-tetramethylcyclopenta-1,4-diene-1-carboxylic acid?
2,3,4,5-tetramethylcyclopenta-1,4-diene-1-carboxylic acid has a molecular weight of 166.22 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetramethylcyclopenta-1,4-diene-1-carboxylic acid is sourced from PubChem (CID 11805120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).