2-methoxy-4-methylpentanoic acid

C7H14O3 — CID 21366333

IUPAC2-methoxy-4-methylpentanoic acid
SMILESCOC(CC(C)C)C(=O)O
InChIInChI=1S/C7H14O3/c1-5(2)4-6(10-3)7(8)9/h5-6H,4H2,1-3H3,(H,8,9)
InChIKeyMJHYCHHBCQHJNB-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.13
Rot. Bonds4

About 2-methoxy-4-methylpentanoic acid

2-methoxy-4-methylpentanoic acid (PubChem CID 21366333) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-methoxy-4-methylpentanoic acid.

Molecular Properties

Compound Name2-methoxy-4-methylpentanoic acid
PubChem CID21366333
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name2-methoxy-4-methylpentanoic acid
SMILESCOC(CC(C)C)C(=O)O
InChIInChI=1S/C7H14O3/c1-5(2)4-6(10-3)7(8)9/h5-6H,4H2,1-3H3,(H,8,9)
InChIKeyMJHYCHHBCQHJNB-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methylpentanoic acid?
The IUPAC name of 2-methoxy-4-methylpentanoic acid (CID 21366333) is 2-methoxy-4-methylpentanoic acid.
What is the SMILES notation for 2-methoxy-4-methylpentanoic acid?
The canonical SMILES for 2-methoxy-4-methylpentanoic acid is COC(CC(C)C)C(=O)O.
What is the InChIKey of 2-methoxy-4-methylpentanoic acid?
The InChIKey is MJHYCHHBCQHJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-5(2)4-6(10-3)7(8)9/h5-6H,4H2,1-3H3,(H,8,9).
What are the key properties of 2-methoxy-4-methylpentanoic acid?
2-methoxy-4-methylpentanoic acid has a molecular weight of 146.19 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methylpentanoic acid is sourced from PubChem (CID 21366333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).