1,2,3,4-tetramethylpentane-1,1,2,3,4-pentacarboxylic acid

C14H20O10 — CID 88727821

IUPAC1,2,3,4-tetramethylpentane-1,1,2,3,4-pentacarboxylic acid
SMILESCC(C)(C(=O)O)C(C)(C(=O)O)C(C)(C(=O)O)C(C)(C(=O)O)C(=O)O
InChIInChI=1S/C14H20O10/c1-11(2,6(15)16)13(4,9(21)22)14(5,10(23)24)12(3,7(17)18)8(19)20/h1-5H3,(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKeyVBRXTPNDZWEEDT-UHFFFAOYSA-N
MW348.30 g/mol
LogP0.45
Rot. Bonds8

About 1,2,3,4-tetramethylpentane-1,1,2,3,4-pentacarboxylic acid

1,2,3,4-tetramethylpentane-1,1,2,3,4-pentacarboxylic acid (PubChem CID 88727821) has the molecular formula C14H20O10 and a molecular weight of 348.30 g/mol. Its IUPAC name is 1,2,3,4-tetramethylpentane-1,1,2,3,4-pentacarboxylic acid.

Molecular Properties

Compound Name1,2,3,4-tetramethylpentane-1,1,2,3,4-pentacarboxylic acid
PubChem CID88727821
Molecular FormulaC14H20O10
Molecular Weight348.30 g/mol
Exact Mass348.11
IUPAC Name1,2,3,4-tetramethylpentane-1,1,2,3,4-pentacarboxylic acid
SMILESCC(C)(C(=O)O)C(C)(C(=O)O)C(C)(C(=O)O)C(C)(C(=O)O)C(=O)O
InChIInChI=1S/C14H20O10/c1-11(2,6(15)16)13(4,9(21)22)14(5,10(23)24)12(3,7(17)18)8(19)20/h1-5H3,(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKeyVBRXTPNDZWEEDT-UHFFFAOYSA-N
XLogP0.45
TPSA186.50 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 50.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3,3,3-triamino-2,2-dimethylpropanoic acid
CID 87392414
3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid
CID 2736186
2,2-dimethylpropanoic acid
CID 87781698
3-hydroxy-2,2,3,4,4-pentamethylpentanoic acid
CID 105443227
(2S)-2-benzoyl-2,3,3-trimethylbutanedioic acid
CID 175533382
sodium;hydride;3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid
CID 173413742
tetrakis(2,2-dimethylpropanoic acid);molybdenum
CID 171378141
2,2-dimethylpropanoic acid;lanthanum
CID 160817860
2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid
CID 71309334
2-ethyl-2,3,3-trimethylbutanedioic acid
CID 54557426
2,2,3-trimethyl-3-(1,2,4-triazol-4-yl)butanoic acid
CID 65265378
2-bromo-2-methylpropanoic acid
CID 159388254

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetramethylpentane-1,1,2,3,4-pentacarboxylic acid?
The IUPAC name of 1,2,3,4-tetramethylpentane-1,1,2,3,4-pentacarboxylic acid (CID 88727821) is 1,2,3,4-tetramethylpentane-1,1,2,3,4-pentacarboxylic acid.
What is the SMILES notation for 1,2,3,4-tetramethylpentane-1,1,2,3,4-pentacarboxylic acid?
The canonical SMILES for 1,2,3,4-tetramethylpentane-1,1,2,3,4-pentacarboxylic acid is CC(C)(C(=O)O)C(C)(C(=O)O)C(C)(C(=O)O)C(C)(C(=O)O)C(=O)O.
What is the InChIKey of 1,2,3,4-tetramethylpentane-1,1,2,3,4-pentacarboxylic acid?
The InChIKey is VBRXTPNDZWEEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O10/c1-11(2,6(15)16)13(4,9(21)22)14(5,10(23)24)12(3,7(17)18)8(19)20/h1-5H3,(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24).
What are the key properties of 1,2,3,4-tetramethylpentane-1,1,2,3,4-pentacarboxylic acid?
1,2,3,4-tetramethylpentane-1,1,2,3,4-pentacarboxylic acid has a molecular weight of 348.30 g/mol, XLogP of 0.45, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetramethylpentane-1,1,2,3,4-pentacarboxylic acid is sourced from PubChem (CID 88727821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).