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

C12H24O4 — CID 88983058

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

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

4-(2-methoxy-2-methylbutoxy)-4-methylpentanoic acid (PubChem CID 88983058) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4-(2-methoxy-2-methylbutoxy)-4-methylpentanoic acid.

Molecular Properties

Compound Name4-(2-methoxy-2-methylbutoxy)-4-methylpentanoic acid
PubChem CID88983058
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name4-(2-methoxy-2-methylbutoxy)-4-methylpentanoic acid
SMILESCCC(C)(COC(C)(C)CCC(=O)O)OC
InChIInChI=1S/C12H24O4/c1-6-12(4,15-5)9-16-11(2,3)8-7-10(13)14/h6-9H2,1-5H3,(H,13,14)
InChIKeyCZDVNUVBHIHFGO-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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-2-methylbutoxy)-4-methylpentanoic acid?
The IUPAC name of 4-(2-methoxy-2-methylbutoxy)-4-methylpentanoic acid (CID 88983058) is 4-(2-methoxy-2-methylbutoxy)-4-methylpentanoic acid.
What is the SMILES notation for 4-(2-methoxy-2-methylbutoxy)-4-methylpentanoic acid?
The canonical SMILES for 4-(2-methoxy-2-methylbutoxy)-4-methylpentanoic acid is CCC(C)(COC(C)(C)CCC(=O)O)OC.
What is the InChIKey of 4-(2-methoxy-2-methylbutoxy)-4-methylpentanoic acid?
The InChIKey is CZDVNUVBHIHFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-6-12(4,15-5)9-16-11(2,3)8-7-10(13)14/h6-9H2,1-5H3,(H,13,14).
What are the key properties of 4-(2-methoxy-2-methylbutoxy)-4-methylpentanoic acid?
4-(2-methoxy-2-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-(2-methoxy-2-methylbutoxy)-4-methylpentanoic acid is sourced from PubChem (CID 88983058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).