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

C12H24O4 — CID 89042863

IUPAC4-(3-methoxy-3-methylbutoxy)-4-methylpentanoic acid
SMILESCOC(C)(C)CCOC(C)(C)CCC(=O)O
InChIInChI=1S/C12H24O4/c1-11(2,15-5)8-9-16-12(3,4)7-6-10(13)14/h6-9H2,1-5H3,(H,13,14)
InChIKeyJNPBMZNRCCSZEF-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.46
Rot. Bonds8

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

4-(3-methoxy-3-methylbutoxy)-4-methylpentanoic acid (PubChem CID 89042863) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4-(3-methoxy-3-methylbutoxy)-4-methylpentanoic acid.

Molecular Properties

Compound Name4-(3-methoxy-3-methylbutoxy)-4-methylpentanoic acid
PubChem CID89042863
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name4-(3-methoxy-3-methylbutoxy)-4-methylpentanoic acid
SMILESCOC(C)(C)CCOC(C)(C)CCC(=O)O
InChIInChI=1S/C12H24O4/c1-11(2,15-5)8-9-16-12(3,4)7-6-10(13)14/h6-9H2,1-5H3,(H,13,14)
InChIKeyJNPBMZNRCCSZEF-UHFFFAOYSA-N
XLogP2.46
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-methoxy-3-methylbutoxy)-4-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-3-methylbutoxy)-4-methylpentanoic acid?
The IUPAC name of 4-(3-methoxy-3-methylbutoxy)-4-methylpentanoic acid (CID 89042863) is 4-(3-methoxy-3-methylbutoxy)-4-methylpentanoic acid.
What is the SMILES notation for 4-(3-methoxy-3-methylbutoxy)-4-methylpentanoic acid?
The canonical SMILES for 4-(3-methoxy-3-methylbutoxy)-4-methylpentanoic acid is COC(C)(C)CCOC(C)(C)CCC(=O)O.
What is the InChIKey of 4-(3-methoxy-3-methylbutoxy)-4-methylpentanoic acid?
The InChIKey is JNPBMZNRCCSZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-11(2,15-5)8-9-16-12(3,4)7-6-10(13)14/h6-9H2,1-5H3,(H,13,14).
What are the key properties of 4-(3-methoxy-3-methylbutoxy)-4-methylpentanoic acid?
4-(3-methoxy-3-methylbutoxy)-4-methylpentanoic acid has a molecular weight of 232.32 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-3-methylbutoxy)-4-methylpentanoic acid is sourced from PubChem (CID 89042863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).