2,2,3-trimethyl-3-(2,2,6,6-tetramethylheptan-4-yl)butanedioic acid

C18H34O4 — CID 118611027

IUPAC2,2,3-trimethyl-3-(2,2,6,6-tetramethylheptan-4-yl)butanedioic acid
SMILESCC(C)(C)CC(CC(C)(C)C)C(C)(C(=O)O)C(C)(C)C(=O)O
InChIInChI=1S/C18H34O4/c1-15(2,3)10-12(11-16(4,5)6)18(9,14(21)22)17(7,8)13(19)20/h12H,10-11H2,1-9H3,(H,19,20)(H,21,22)
InChIKeyGPJVAMYFQQMLAK-UHFFFAOYSA-N
MW314.47 g/mol
LogP4.68
Rot. Bonds6

About 2,2,3-trimethyl-3-(2,2,6,6-tetramethylheptan-4-yl)butanedioic acid

2,2,3-trimethyl-3-(2,2,6,6-tetramethylheptan-4-yl)butanedioic acid (PubChem CID 118611027) has the molecular formula C18H34O4 and a molecular weight of 314.47 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(2,2,6,6-tetramethylheptan-4-yl)butanedioic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(2,2,6,6-tetramethylheptan-4-yl)butanedioic acid
PubChem CID118611027
Molecular FormulaC18H34O4
Molecular Weight314.47 g/mol
Exact Mass314.25
IUPAC Name2,2,3-trimethyl-3-(2,2,6,6-tetramethylheptan-4-yl)butanedioic acid
SMILESCC(C)(C)CC(CC(C)(C)C)C(C)(C(=O)O)C(C)(C)C(=O)O
InChIInChI=1S/C18H34O4/c1-15(2,3)10-12(11-16(4,5)6)18(9,14(21)22)17(7,8)13(19)20/h12H,10-11H2,1-9H3,(H,19,20)(H,21,22)
InChIKeyGPJVAMYFQQMLAK-UHFFFAOYSA-N
XLogP4.68
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2,3-trimethyl-3-(2,2,6,6-tetramethylheptan-4-yl)butanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5,5-trimethylhexanoic acid;zirconium
CID 174506676
manganese;3,5,5-trimethylhexanoic acid
CID 170844741
2-amino-4,4-dimethylpentanoic acid;chloromethane
CID 175588190
2,3-bis(4,4-dimethylpentan-2-yl)butanedioic acid
CID 151564398
acetic acid;2,2,4-trimethylpentane;hydrate
CID 159555520
6-tert-butyl-2,4,4,8,8-pentamethylnonanoic acid
CID 154979376
CID 5484103
CID 5484103
4-hydroxy-2,6,6-trimethylheptan-3-one
CID 134296444
(4R)-4-hydroxy-2,6,6-trimethylheptan-3-one
CID 164836555
CID 20709123
CID 20709123
[(2R)-2-amino-4,4-dimethylpentyl]carbamic acid
CID 87077916
(2R)-4,4-dimethyl-2-trimethylsilylpentanoic acid
CID 124629146

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-(2,2,6,6-tetramethylheptan-4-yl)butanedioic acid?
The IUPAC name of 2,2,3-trimethyl-3-(2,2,6,6-tetramethylheptan-4-yl)butanedioic acid (CID 118611027) is 2,2,3-trimethyl-3-(2,2,6,6-tetramethylheptan-4-yl)butanedioic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-(2,2,6,6-tetramethylheptan-4-yl)butanedioic acid?
The canonical SMILES for 2,2,3-trimethyl-3-(2,2,6,6-tetramethylheptan-4-yl)butanedioic acid is CC(C)(C)CC(CC(C)(C)C)C(C)(C(=O)O)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-(2,2,6,6-tetramethylheptan-4-yl)butanedioic acid?
The InChIKey is GPJVAMYFQQMLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O4/c1-15(2,3)10-12(11-16(4,5)6)18(9,14(21)22)17(7,8)13(19)20/h12H,10-11H2,1-9H3,(H,19,20)(H,21,22).
What are the key properties of 2,2,3-trimethyl-3-(2,2,6,6-tetramethylheptan-4-yl)butanedioic acid?
2,2,3-trimethyl-3-(2,2,6,6-tetramethylheptan-4-yl)butanedioic acid has a molecular weight of 314.47 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(2,2,6,6-tetramethylheptan-4-yl)butanedioic acid is sourced from PubChem (CID 118611027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).