3-methoxy-3-methylpentanoic acid

C7H14O3 — CID 105428921

IUPAC3-methoxy-3-methylpentanoic acid
SMILESCCC(C)(CC(=O)O)OC
InChIInChI=1S/C7H14O3/c1-4-7(2,10-3)5-6(8)9/h4-5H2,1-3H3,(H,8,9)
InChIKeyHQDXMOZEHYTOAP-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.28
Rot. Bonds4

About 3-methoxy-3-methylpentanoic acid

3-methoxy-3-methylpentanoic acid (PubChem CID 105428921) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-methoxy-3-methylpentanoic acid.

Molecular Properties

Compound Name3-methoxy-3-methylpentanoic acid
PubChem CID105428921
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name3-methoxy-3-methylpentanoic acid
SMILESCCC(C)(CC(=O)O)OC
InChIInChI=1S/C7H14O3/c1-4-7(2,10-3)5-6(8)9/h4-5H2,1-3H3,(H,8,9)
InChIKeyHQDXMOZEHYTOAP-UHFFFAOYSA-N
XLogP1.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-3-hydroxypentanoic acid
CID 11513768
3-ethoxycarbonyl-3-methoxypentanoic acid
CID 118610918
4,4,4-trifluoro-3-methoxy-3-methylbutanoic acid
CID 105441958
3-(3-methylpentan-3-yloxy)-3-oxopropanoic acid
CID 54570374
3-chloro-3-methylpentanoic acid
CID 13378180
4-(3-methylpentan-3-yloxy)-4-oxobutanoic acid
CID 90399404
2-methoxy-2-methylpropane;pentan-3-one
CID 87285903
3-amino-3,4-dimethylpentanoic acid
CID 53414110
3-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]pentanedioic acid
CID 89274364
3-amino-3-(methoxymethyl)pentanoic acid
CID 64665153
3,3-dimethylbutanoic acid;yttrium
CID 59798482
bis(3,3-dimethylbutanoic acid);hydrochloride
CID 172719072

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methylpentanoic acid?
The IUPAC name of 3-methoxy-3-methylpentanoic acid (CID 105428921) is 3-methoxy-3-methylpentanoic acid.
What is the SMILES notation for 3-methoxy-3-methylpentanoic acid?
The canonical SMILES for 3-methoxy-3-methylpentanoic acid is CCC(C)(CC(=O)O)OC.
What is the InChIKey of 3-methoxy-3-methylpentanoic acid?
The InChIKey is HQDXMOZEHYTOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-4-7(2,10-3)5-6(8)9/h4-5H2,1-3H3,(H,8,9).
What are the key properties of 3-methoxy-3-methylpentanoic acid?
3-methoxy-3-methylpentanoic acid has a molecular weight of 146.19 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methylpentanoic acid is sourced from PubChem (CID 105428921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).