3-methyl-3-(2-methylpropyl)pentanedioic acid

C10H18O4 — CID 5325241

IUPAC3-methyl-3-(2-methylpropyl)pentanedioic acid
SMILESCC(C)CC(C)(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H18O4/c1-7(2)4-10(3,5-8(11)12)6-9(13)14/h7H,4-6H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyNCCFGKVFLVAWRI-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.99
Rot. Bonds6

About 3-methyl-3-(2-methylpropyl)pentanedioic acid

3-methyl-3-(2-methylpropyl)pentanedioic acid (PubChem CID 5325241) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-methyl-3-(2-methylpropyl)pentanedioic acid.

Molecular Properties

Compound Name3-methyl-3-(2-methylpropyl)pentanedioic acid
PubChem CID5325241
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name3-methyl-3-(2-methylpropyl)pentanedioic acid
SMILESCC(C)CC(C)(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H18O4/c1-7(2)4-10(3,5-8(11)12)6-9(13)14/h7H,4-6H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyNCCFGKVFLVAWRI-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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-methylpropyl)pentanedioic acid?
The IUPAC name of 3-methyl-3-(2-methylpropyl)pentanedioic acid (CID 5325241) is 3-methyl-3-(2-methylpropyl)pentanedioic acid.
What is the SMILES notation for 3-methyl-3-(2-methylpropyl)pentanedioic acid?
The canonical SMILES for 3-methyl-3-(2-methylpropyl)pentanedioic acid is CC(C)CC(C)(CC(=O)O)CC(=O)O.
What is the InChIKey of 3-methyl-3-(2-methylpropyl)pentanedioic acid?
The InChIKey is NCCFGKVFLVAWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-7(2)4-10(3,5-8(11)12)6-9(13)14/h7H,4-6H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 3-methyl-3-(2-methylpropyl)pentanedioic acid?
3-methyl-3-(2-methylpropyl)pentanedioic 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 3-methyl-3-(2-methylpropyl)pentanedioic acid is sourced from PubChem (CID 5325241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).