2,2-dimethylpentanoic acid;3,4-dimethylpentanoic acid

C14H28O4 — CID 175526409

IUPAC2,2-dimethylpentanoic acid;3,4-dimethylpentanoic acid
SMILESCC(C)C(C)CC(=O)O.CCCC(C)(C)C(=O)O
InChIInChI=1S/2C7H14O2/c1-5(2)6(3)4-7(8)9;1-4-5-7(2,3)6(8)9/h5-6H,4H2,1-3H3,(H,8,9);4-5H2,1-3H3,(H,8,9)
InChIKeyZLORCWXROQRWTK-UHFFFAOYSA-N
MW260.37 g/mol
LogP3.65
Rot. Bonds6

About 2,2-dimethylpentanoic acid;3,4-dimethylpentanoic acid

2,2-dimethylpentanoic acid;3,4-dimethylpentanoic acid (PubChem CID 175526409) has the molecular formula C14H28O4 and a molecular weight of 260.37 g/mol. Its IUPAC name is 2,2-dimethylpentanoic acid;3,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2,2-dimethylpentanoic acid;3,4-dimethylpentanoic acid
PubChem CID175526409
Molecular FormulaC14H28O4
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Name2,2-dimethylpentanoic acid;3,4-dimethylpentanoic acid
SMILESCC(C)C(C)CC(=O)O.CCCC(C)(C)C(=O)O
InChIInChI=1S/2C7H14O2/c1-5(2)6(3)4-7(8)9;1-4-5-7(2,3)6(8)9/h5-6H,4H2,1-3H3,(H,8,9);4-5H2,1-3H3,(H,8,9)
InChIKeyZLORCWXROQRWTK-UHFFFAOYSA-N
XLogP3.65
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(dimethylamino)-3,5,5-trimethylhexanoic acid
CID 116908129
4-amino-3,5,5-trimethylhexanoic acid
CID 116938121
2,2-dimethylhexanoic acid;hydrochloride
CID 87873074
2,2-dimethyldocosanoic acid
CID 23471202
2,3-dihydroxy-4-methyl-2-propylpentanoic acid
CID 139902815
2-(2-methylpentan-2-yl)butanedioic acid
CID 121418792
5-[butan-2-yl(methyl)amino]-2,2-dimethylpentanoic acid
CID 65254735
2,2-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]butanoic acid
CID 65248118
3,3,5,5-tetramethyloctan-4-one
CID 89362590
3-(1-carboxypropan-2-ylsulfanyl)-2,2-dimethylpropanoic acid
CID 79630328
2,2,4-trimethyl-4-propylpentanedioic acid
CID 19091003
tris(2,2-dimethyldecanoic acid);neodymium
CID 162514792

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpentanoic acid;3,4-dimethylpentanoic acid?
The IUPAC name of 2,2-dimethylpentanoic acid;3,4-dimethylpentanoic acid (CID 175526409) is 2,2-dimethylpentanoic acid;3,4-dimethylpentanoic acid.
What is the SMILES notation for 2,2-dimethylpentanoic acid;3,4-dimethylpentanoic acid?
The canonical SMILES for 2,2-dimethylpentanoic acid;3,4-dimethylpentanoic acid is CC(C)C(C)CC(=O)O.CCCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethylpentanoic acid;3,4-dimethylpentanoic acid?
The InChIKey is ZLORCWXROQRWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H14O2/c1-5(2)6(3)4-7(8)9;1-4-5-7(2,3)6(8)9/h5-6H,4H2,1-3H3,(H,8,9);4-5H2,1-3H3,(H,8,9).
What are the key properties of 2,2-dimethylpentanoic acid;3,4-dimethylpentanoic acid?
2,2-dimethylpentanoic acid;3,4-dimethylpentanoic acid has a molecular weight of 260.37 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpentanoic acid;3,4-dimethylpentanoic acid is sourced from PubChem (CID 175526409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).