2,2-dimethylpentane-1,3,5-tricarboxylic acid

C10H16O6 — CID 2802949

IUPAC2,2-dimethylpentane-1,3,5-tricarboxylic acid
SMILESCC(C)(CC(=O)O)C(CCC(=O)O)C(=O)O
InChIInChI=1S/C10H16O6/c1-10(2,5-8(13)14)6(9(15)16)3-4-7(11)12/h6H,3-5H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)
InChIKeySRXBEKYXSVLAPC-UHFFFAOYSA-N
MW232.23 g/mol
LogP1.05
Rot. Bonds7

About 2,2-dimethylpentane-1,3,5-tricarboxylic acid

2,2-dimethylpentane-1,3,5-tricarboxylic acid (PubChem CID 2802949) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is 2,2-dimethylpentane-1,3,5-tricarboxylic acid.

Molecular Properties

Compound Name2,2-dimethylpentane-1,3,5-tricarboxylic acid
PubChem CID2802949
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name2,2-dimethylpentane-1,3,5-tricarboxylic acid
SMILESCC(C)(CC(=O)O)C(CCC(=O)O)C(=O)O
InChIInChI=1S/C10H16O6/c1-10(2,5-8(13)14)6(9(15)16)3-4-7(11)12/h6H,3-5H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)
InChIKeySRXBEKYXSVLAPC-UHFFFAOYSA-N
XLogP1.05
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-2-nonylpentanedioic acid
CID 87252473
4-acetyl-5,5-dimethylhexanoic acid
CID 163730039
2-(1,1-diaminoethyl)hexanedioic acid
CID 174466559
2-tert-butylicosanedioic acid
CID 138542827
3,3-dimethyl-2-propan-2-ylpentanedioic acid
CID 134364123
4-butyl-5-methylnonane-1,3,4,5-tetracarboxylic acid
CID 139887918
(3S)-2,2-dimethyl-3-(3-oxobutyl)butanedioic acid
CID 162842252
2,2-dimethylbutane-1,1,4-tricarboxylic acid
CID 86125783
4,7,10-trihydroxytridecanedioic acid
CID 174508120
5-methylhexane-1,3,5-tricarboxylic acid
CID 167346371
2-(1,1-dihydroxyethylamino)pentanedioic acid
CID 87961952
4,5,5-trifluorohexanoic acid
CID 174703324

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpentane-1,3,5-tricarboxylic acid?
The IUPAC name of 2,2-dimethylpentane-1,3,5-tricarboxylic acid (CID 2802949) is 2,2-dimethylpentane-1,3,5-tricarboxylic acid.
What is the SMILES notation for 2,2-dimethylpentane-1,3,5-tricarboxylic acid?
The canonical SMILES for 2,2-dimethylpentane-1,3,5-tricarboxylic acid is CC(C)(CC(=O)O)C(CCC(=O)O)C(=O)O.
What is the InChIKey of 2,2-dimethylpentane-1,3,5-tricarboxylic acid?
The InChIKey is SRXBEKYXSVLAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O6/c1-10(2,5-8(13)14)6(9(15)16)3-4-7(11)12/h6H,3-5H2,1-2H3,(H,11,12)(H,13,14)(H,15,16).
What are the key properties of 2,2-dimethylpentane-1,3,5-tricarboxylic acid?
2,2-dimethylpentane-1,3,5-tricarboxylic acid has a molecular weight of 232.23 g/mol, XLogP of 1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpentane-1,3,5-tricarboxylic acid is sourced from PubChem (CID 2802949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).