4-(3-hydroxy-3-methylbutoxy)-4-methylpentanoic acid

C11H22O4 — CID 121263381

IUPAC4-(3-hydroxy-3-methylbutoxy)-4-methylpentanoic acid
SMILESCC(C)(O)CCOC(C)(C)CCC(=O)O
InChIInChI=1S/C11H22O4/c1-10(2,14)7-8-15-11(3,4)6-5-9(12)13/h14H,5-8H2,1-4H3,(H,12,13)
InChIKeyCEBSCYXSMAXGGJ-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.81
Rot. Bonds7

About 4-(3-hydroxy-3-methylbutoxy)-4-methylpentanoic acid

4-(3-hydroxy-3-methylbutoxy)-4-methylpentanoic acid (PubChem CID 121263381) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 4-(3-hydroxy-3-methylbutoxy)-4-methylpentanoic acid.

Molecular Properties

Compound Name4-(3-hydroxy-3-methylbutoxy)-4-methylpentanoic acid
PubChem CID121263381
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name4-(3-hydroxy-3-methylbutoxy)-4-methylpentanoic acid
SMILESCC(C)(O)CCOC(C)(C)CCC(=O)O
InChIInChI=1S/C11H22O4/c1-10(2,14)7-8-15-11(3,4)6-5-9(12)13/h14H,5-8H2,1-4H3,(H,12,13)
InChIKeyCEBSCYXSMAXGGJ-UHFFFAOYSA-N
XLogP1.81
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-methylbutoxy)-4-methylpentanoic acid?
The IUPAC name of 4-(3-hydroxy-3-methylbutoxy)-4-methylpentanoic acid (CID 121263381) is 4-(3-hydroxy-3-methylbutoxy)-4-methylpentanoic acid.
What is the SMILES notation for 4-(3-hydroxy-3-methylbutoxy)-4-methylpentanoic acid?
The canonical SMILES for 4-(3-hydroxy-3-methylbutoxy)-4-methylpentanoic acid is CC(C)(O)CCOC(C)(C)CCC(=O)O.
What is the InChIKey of 4-(3-hydroxy-3-methylbutoxy)-4-methylpentanoic acid?
The InChIKey is CEBSCYXSMAXGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-10(2,14)7-8-15-11(3,4)6-5-9(12)13/h14H,5-8H2,1-4H3,(H,12,13).
What are the key properties of 4-(3-hydroxy-3-methylbutoxy)-4-methylpentanoic acid?
4-(3-hydroxy-3-methylbutoxy)-4-methylpentanoic acid has a molecular weight of 218.29 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-3-methylbutoxy)-4-methylpentanoic acid is sourced from PubChem (CID 121263381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).