2-(2-methylpentan-2-yl)butanedioic acid

C10H18O4 — CID 121418792

IUPAC2-(2-methylpentan-2-yl)butanedioic acid
SMILESCCCC(C)(C)C(CC(=O)O)C(=O)O
InChIInChI=1S/C10H18O4/c1-4-5-10(2,3)7(9(13)14)6-8(11)12/h7H,4-6H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyUVRQUHHAHFKTAV-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.99
Rot. Bonds6

About 2-(2-methylpentan-2-yl)butanedioic acid

2-(2-methylpentan-2-yl)butanedioic acid (PubChem CID 121418792) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(2-methylpentan-2-yl)butanedioic acid.

Molecular Properties

Compound Name2-(2-methylpentan-2-yl)butanedioic acid
PubChem CID121418792
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2-(2-methylpentan-2-yl)butanedioic acid
SMILESCCCC(C)(C)C(CC(=O)O)C(=O)O
InChIInChI=1S/C10H18O4/c1-4-5-10(2,3)7(9(13)14)6-8(11)12/h7H,4-6H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyUVRQUHHAHFKTAV-UHFFFAOYSA-N
XLogP1.99
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methylpropane-1,1,2,3-tetracarboxylic acid
CID 101279085
2-ethyl-3,3-dimethyltetradecanoic acid
CID 175257487
3-hydroxypentane-1,2,3-tricarboxylic acid
CID 19799958
sodium;hydride;3-hydroxybutane-1,2,3-tricarboxylic acid
CID 175068957
3-phosphorosobutane-1,2,3-tricarboxylic acid
CID 174406294
2-(2,2-dimethylpropyl)-3,3-dimethylhexanamide
CID 143920647
3-hydroxy-4,4-dimethyl-2-oxoheptanoic acid
CID 91510716
2-[2-(diaminomethylideneamino)propan-2-yl]butanedioic acid
CID 118327982
6,9-bis(sulfanyl)tetradecane-4,5,8,9-tetracarboxylic acid
CID 154417552
2-(2-methoxy-3-oxobutan-2-yl)butanedioic acid
CID 58012582
2-(4-methylheptan-4-yl)propanedioic acid
CID 138593580
2,2-dimethylpentanoic acid;3,4-dimethylpentanoic acid
CID 175526409

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentan-2-yl)butanedioic acid?
The IUPAC name of 2-(2-methylpentan-2-yl)butanedioic acid (CID 121418792) is 2-(2-methylpentan-2-yl)butanedioic acid.
What is the SMILES notation for 2-(2-methylpentan-2-yl)butanedioic acid?
The canonical SMILES for 2-(2-methylpentan-2-yl)butanedioic acid is CCCC(C)(C)C(CC(=O)O)C(=O)O.
What is the InChIKey of 2-(2-methylpentan-2-yl)butanedioic acid?
The InChIKey is UVRQUHHAHFKTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-4-5-10(2,3)7(9(13)14)6-8(11)12/h7H,4-6H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 2-(2-methylpentan-2-yl)butanedioic acid?
2-(2-methylpentan-2-yl)butanedioic acid has a molecular weight of 202.25 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentan-2-yl)butanedioic acid is sourced from PubChem (CID 121418792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).