4-(2-methoxy-2-methylpropoxy)-4-methylpentanoic acid

C11H22O4 — CID 88983059

IUPAC4-(2-methoxy-2-methylpropoxy)-4-methylpentanoic acid
SMILESCOC(C)(C)COC(C)(C)CCC(=O)O
InChIInChI=1S/C11H22O4/c1-10(2,7-6-9(12)13)15-8-11(3,4)14-5/h6-8H2,1-5H3,(H,12,13)
InChIKeyPPOUCGZEWCFOGQ-UHFFFAOYSA-N
MW218.29 g/mol
LogP2.07
Rot. Bonds7

About 4-(2-methoxy-2-methylpropoxy)-4-methylpentanoic acid

4-(2-methoxy-2-methylpropoxy)-4-methylpentanoic acid (PubChem CID 88983059) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 4-(2-methoxy-2-methylpropoxy)-4-methylpentanoic acid.

Molecular Properties

Compound Name4-(2-methoxy-2-methylpropoxy)-4-methylpentanoic acid
PubChem CID88983059
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name4-(2-methoxy-2-methylpropoxy)-4-methylpentanoic acid
SMILESCOC(C)(C)COC(C)(C)CCC(=O)O
InChIInChI=1S/C11H22O4/c1-10(2,7-6-9(12)13)15-8-11(3,4)14-5/h6-8H2,1-5H3,(H,12,13)
InChIKeyPPOUCGZEWCFOGQ-UHFFFAOYSA-N
XLogP2.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-2-methylpropoxy)-4-methylpentanoic acid?
The IUPAC name of 4-(2-methoxy-2-methylpropoxy)-4-methylpentanoic acid (CID 88983059) is 4-(2-methoxy-2-methylpropoxy)-4-methylpentanoic acid.
What is the SMILES notation for 4-(2-methoxy-2-methylpropoxy)-4-methylpentanoic acid?
The canonical SMILES for 4-(2-methoxy-2-methylpropoxy)-4-methylpentanoic acid is COC(C)(C)COC(C)(C)CCC(=O)O.
What is the InChIKey of 4-(2-methoxy-2-methylpropoxy)-4-methylpentanoic acid?
The InChIKey is PPOUCGZEWCFOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-10(2,7-6-9(12)13)15-8-11(3,4)14-5/h6-8H2,1-5H3,(H,12,13).
What are the key properties of 4-(2-methoxy-2-methylpropoxy)-4-methylpentanoic acid?
4-(2-methoxy-2-methylpropoxy)-4-methylpentanoic acid has a molecular weight of 218.29 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-2-methylpropoxy)-4-methylpentanoic acid is sourced from PubChem (CID 88983059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).