3-methyl-2-(3-methylbutanoyloxy)butanoic acid

C10H18O4 — CID 22922043

IUPAC3-methyl-2-(3-methylbutanoyloxy)butanoic acid
SMILESCC(C)CC(=O)OC(C(=O)O)C(C)C
InChIInChI=1S/C10H18O4/c1-6(2)5-8(11)14-9(7(3)4)10(12)13/h6-7,9H,5H2,1-4H3,(H,12,13)
InChIKeySOJFCTIYHPWXGZ-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.68
Rot. Bonds5

About 3-methyl-2-(3-methylbutanoyloxy)butanoic acid

3-methyl-2-(3-methylbutanoyloxy)butanoic acid (PubChem CID 22922043) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-methyl-2-(3-methylbutanoyloxy)butanoic acid.

Molecular Properties

Compound Name3-methyl-2-(3-methylbutanoyloxy)butanoic acid
PubChem CID22922043
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name3-methyl-2-(3-methylbutanoyloxy)butanoic acid
SMILESCC(C)CC(=O)OC(C(=O)O)C(C)C
InChIInChI=1S/C10H18O4/c1-6(2)5-8(11)14-9(7(3)4)10(12)13/h6-7,9H,5H2,1-4H3,(H,12,13)
InChIKeySOJFCTIYHPWXGZ-UHFFFAOYSA-N
XLogP1.68
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methylbutanoyloxy)butanoic acid?
The IUPAC name of 3-methyl-2-(3-methylbutanoyloxy)butanoic acid (CID 22922043) is 3-methyl-2-(3-methylbutanoyloxy)butanoic acid.
What is the SMILES notation for 3-methyl-2-(3-methylbutanoyloxy)butanoic acid?
The canonical SMILES for 3-methyl-2-(3-methylbutanoyloxy)butanoic acid is CC(C)CC(=O)OC(C(=O)O)C(C)C.
What is the InChIKey of 3-methyl-2-(3-methylbutanoyloxy)butanoic acid?
The InChIKey is SOJFCTIYHPWXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-6(2)5-8(11)14-9(7(3)4)10(12)13/h6-7,9H,5H2,1-4H3,(H,12,13).
What are the key properties of 3-methyl-2-(3-methylbutanoyloxy)butanoic acid?
3-methyl-2-(3-methylbutanoyloxy)butanoic acid has a molecular weight of 202.25 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-methylbutanoyloxy)butanoic acid is sourced from PubChem (CID 22922043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).