2-methyl-2-(2-methylnonan-2-yl)propanedioic acid

C14H26O4 — CID 175181388

IUPAC2-methyl-2-(2-methylnonan-2-yl)propanedioic acid
SMILESCCCCCCCC(C)(C)C(C)(C(=O)O)C(=O)O
InChIInChI=1S/C14H26O4/c1-5-6-7-8-9-10-13(2,3)14(4,11(15)16)12(17)18/h5-10H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyIGJDWXDXAFYPSQ-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.55
Rot. Bonds9

About 2-methyl-2-(2-methylnonan-2-yl)propanedioic acid

2-methyl-2-(2-methylnonan-2-yl)propanedioic acid (PubChem CID 175181388) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-methyl-2-(2-methylnonan-2-yl)propanedioic acid.

Molecular Properties

Compound Name2-methyl-2-(2-methylnonan-2-yl)propanedioic acid
PubChem CID175181388
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name2-methyl-2-(2-methylnonan-2-yl)propanedioic acid
SMILESCCCCCCCC(C)(C)C(C)(C(=O)O)C(=O)O
InChIInChI=1S/C14H26O4/c1-5-6-7-8-9-10-13(2,3)14(4,11(15)16)12(17)18/h5-10H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyIGJDWXDXAFYPSQ-UHFFFAOYSA-N
XLogP3.55
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3-tetramethylheptadecanoic acid
CID 54420506
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
2-heptyl-2-methylpropanedioic acid
CID 89147986
2-decyl-2-methyltetradecanoic acid
CID 611890
2,2-dimethyldocosanoic acid
CID 23471202
2-hexyl-2-methyldecanoic acid
CID 86051716
2-decyl-2-methylicosanoic acid
CID 174997379
tris(2,2-dimethyldecanoic acid);neodymium
CID 162514792
2,2-difluoroheptanoic acid
CID 14928309
2,9-dihexyl-2,9-dioctyldecanedioic acid
CID 172763339
2-dodecyl-2-octyltetradecanoic acid
CID 24889792

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylnonan-2-yl)propanedioic acid?
The IUPAC name of 2-methyl-2-(2-methylnonan-2-yl)propanedioic acid (CID 175181388) is 2-methyl-2-(2-methylnonan-2-yl)propanedioic acid.
What is the SMILES notation for 2-methyl-2-(2-methylnonan-2-yl)propanedioic acid?
The canonical SMILES for 2-methyl-2-(2-methylnonan-2-yl)propanedioic acid is CCCCCCCC(C)(C)C(C)(C(=O)O)C(=O)O.
What is the InChIKey of 2-methyl-2-(2-methylnonan-2-yl)propanedioic acid?
The InChIKey is IGJDWXDXAFYPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-5-6-7-8-9-10-13(2,3)14(4,11(15)16)12(17)18/h5-10H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 2-methyl-2-(2-methylnonan-2-yl)propanedioic acid?
2-methyl-2-(2-methylnonan-2-yl)propanedioic acid has a molecular weight of 258.36 g/mol, XLogP of 3.55, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylnonan-2-yl)propanedioic acid is sourced from PubChem (CID 175181388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).