4-methyl-2-(2-methylpropanoyloxy)pentanoic acid

C10H18O4 — CID 123473198

IUPAC4-methyl-2-(2-methylpropanoyloxy)pentanoic acid
SMILESCC(C)CC(OC(=O)C(C)C)C(=O)O
InChIInChI=1S/C10H18O4/c1-6(2)5-8(9(11)12)14-10(13)7(3)4/h6-8H,5H2,1-4H3,(H,11,12)
InChIKeyOILKYBBPSBXTHR-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.68
Rot. Bonds5

About 4-methyl-2-(2-methylpropanoyloxy)pentanoic acid

4-methyl-2-(2-methylpropanoyloxy)pentanoic acid (PubChem CID 123473198) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4-methyl-2-(2-methylpropanoyloxy)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(2-methylpropanoyloxy)pentanoic acid
PubChem CID123473198
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name4-methyl-2-(2-methylpropanoyloxy)pentanoic acid
SMILESCC(C)CC(OC(=O)C(C)C)C(=O)O
InChIInChI=1S/C10H18O4/c1-6(2)5-8(9(11)12)14-10(13)7(3)4/h6-8H,5H2,1-4H3,(H,11,12)
InChIKeyOILKYBBPSBXTHR-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 4-methyl-2-(2-methylpropanoyloxy)pentanoic acid?
The IUPAC name of 4-methyl-2-(2-methylpropanoyloxy)pentanoic acid (CID 123473198) is 4-methyl-2-(2-methylpropanoyloxy)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(2-methylpropanoyloxy)pentanoic acid?
The canonical SMILES for 4-methyl-2-(2-methylpropanoyloxy)pentanoic acid is CC(C)CC(OC(=O)C(C)C)C(=O)O.
What is the InChIKey of 4-methyl-2-(2-methylpropanoyloxy)pentanoic acid?
The InChIKey is OILKYBBPSBXTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-6(2)5-8(9(11)12)14-10(13)7(3)4/h6-8H,5H2,1-4H3,(H,11,12).
What are the key properties of 4-methyl-2-(2-methylpropanoyloxy)pentanoic acid?
4-methyl-2-(2-methylpropanoyloxy)pentanoic 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 4-methyl-2-(2-methylpropanoyloxy)pentanoic acid is sourced from PubChem (CID 123473198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).