2,2,3,3,4-pentamethylhexanedioic acid

C11H20O4 — CID 88799291

IUPAC2,2,3,3,4-pentamethylhexanedioic acid
SMILESCC(CC(=O)O)C(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C11H20O4/c1-7(6-8(12)13)10(2,3)11(4,5)9(14)15/h7H,6H2,1-5H3,(H,12,13)(H,14,15)
InChIKeyNCUHSVHGBQMBGV-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.23
Rot. Bonds5

About 2,2,3,3,4-pentamethylhexanedioic acid

2,2,3,3,4-pentamethylhexanedioic acid (PubChem CID 88799291) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2,2,3,3,4-pentamethylhexanedioic acid.

Molecular Properties

Compound Name2,2,3,3,4-pentamethylhexanedioic acid
PubChem CID88799291
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2,2,3,3,4-pentamethylhexanedioic acid
SMILESCC(CC(=O)O)C(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C11H20O4/c1-7(6-8(12)13)10(2,3)11(4,5)9(14)15/h7H,6H2,1-5H3,(H,12,13)(H,14,15)
InChIKeyNCUHSVHGBQMBGV-UHFFFAOYSA-N
XLogP2.23
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5,5-trimethylhexanoic acid;zirconium
CID 174506676
manganese;3,5,5-trimethylhexanoic acid
CID 170844741
strontium;hydride;3-methylpentanedioic acid
CID 173490798
2,2,3,3,4-pentamethyl-5-methylideneheptanoic acid
CID 118670944
3,5,5,8,8,10-hexamethyldodecanedioic acid
CID 150969155
3-methylbutanoic acid
CID 20849036
3-methyl-4,4,4-trinitrobutanoic acid
CID 15312446
3,3,4,4,5,5,6-heptafluoro-2,2-dimethyloctanedioic acid
CID 87355701
(3R)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 139971647
argon;3-methylbutanoic acid
CID 158006921
CID 87948469
CID 87948469
1-methylpropane-1,1,2,3-tetracarboxylic acid
CID 101279085

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4-pentamethylhexanedioic acid?
The IUPAC name of 2,2,3,3,4-pentamethylhexanedioic acid (CID 88799291) is 2,2,3,3,4-pentamethylhexanedioic acid.
What is the SMILES notation for 2,2,3,3,4-pentamethylhexanedioic acid?
The canonical SMILES for 2,2,3,3,4-pentamethylhexanedioic acid is CC(CC(=O)O)C(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3,3,4-pentamethylhexanedioic acid?
The InChIKey is NCUHSVHGBQMBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-7(6-8(12)13)10(2,3)11(4,5)9(14)15/h7H,6H2,1-5H3,(H,12,13)(H,14,15).
What are the key properties of 2,2,3,3,4-pentamethylhexanedioic acid?
2,2,3,3,4-pentamethylhexanedioic acid has a molecular weight of 216.28 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4-pentamethylhexanedioic acid is sourced from PubChem (CID 88799291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).