3-methyl-4-(1-methylcyclopentyl)oxy-4-oxobutanoic acid

C11H18O4 — CID 155669879

IUPAC3-methyl-4-(1-methylcyclopentyl)oxy-4-oxobutanoic acid
SMILESCC(CC(=O)O)C(=O)OC1(C)CCCC1
InChIInChI=1S/C11H18O4/c1-8(7-9(12)13)10(14)15-11(2)5-3-4-6-11/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyXDHVUAPCTPAZJO-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.97
Rot. Bonds4

About 3-methyl-4-(1-methylcyclopentyl)oxy-4-oxobutanoic acid

3-methyl-4-(1-methylcyclopentyl)oxy-4-oxobutanoic acid (PubChem CID 155669879) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-methyl-4-(1-methylcyclopentyl)oxy-4-oxobutanoic acid.

Molecular Properties

Compound Name3-methyl-4-(1-methylcyclopentyl)oxy-4-oxobutanoic acid
PubChem CID155669879
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name3-methyl-4-(1-methylcyclopentyl)oxy-4-oxobutanoic acid
SMILESCC(CC(=O)O)C(=O)OC1(C)CCCC1
InChIInChI=1S/C11H18O4/c1-8(7-9(12)13)10(14)15-11(2)5-3-4-6-11/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyXDHVUAPCTPAZJO-UHFFFAOYSA-N
XLogP1.97
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1-methylcyclopentyl)oxy-4-oxobutanoic acid?
The IUPAC name of 3-methyl-4-(1-methylcyclopentyl)oxy-4-oxobutanoic acid (CID 155669879) is 3-methyl-4-(1-methylcyclopentyl)oxy-4-oxobutanoic acid.
What is the SMILES notation for 3-methyl-4-(1-methylcyclopentyl)oxy-4-oxobutanoic acid?
The canonical SMILES for 3-methyl-4-(1-methylcyclopentyl)oxy-4-oxobutanoic acid is CC(CC(=O)O)C(=O)OC1(C)CCCC1.
What is the InChIKey of 3-methyl-4-(1-methylcyclopentyl)oxy-4-oxobutanoic acid?
The InChIKey is XDHVUAPCTPAZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-8(7-9(12)13)10(14)15-11(2)5-3-4-6-11/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 3-methyl-4-(1-methylcyclopentyl)oxy-4-oxobutanoic acid?
3-methyl-4-(1-methylcyclopentyl)oxy-4-oxobutanoic acid has a molecular weight of 214.26 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1-methylcyclopentyl)oxy-4-oxobutanoic acid is sourced from PubChem (CID 155669879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).