methyl 2-methoxy-4-methylpentanoate

C8H16O3 — CID 21366366

IUPACmethyl 2-methoxy-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)OC
InChIInChI=1S/C8H16O3/c1-6(2)5-7(10-3)8(9)11-4/h6-7H,5H2,1-4H3
InChIKeyMRITUNXBFHKLSY-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.22
Rot. Bonds4

About methyl 2-methoxy-4-methylpentanoate

methyl 2-methoxy-4-methylpentanoate (PubChem CID 21366366) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is methyl 2-methoxy-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-methoxy-4-methylpentanoate
PubChem CID21366366
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Namemethyl 2-methoxy-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)OC
InChIInChI=1S/C8H16O3/c1-6(2)5-7(10-3)8(9)11-4/h6-7H,5H2,1-4H3
InChIKeyMRITUNXBFHKLSY-UHFFFAOYSA-N
XLogP1.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-4-methylpentanoate?
The IUPAC name of methyl 2-methoxy-4-methylpentanoate (CID 21366366) is methyl 2-methoxy-4-methylpentanoate.
What is the SMILES notation for methyl 2-methoxy-4-methylpentanoate?
The canonical SMILES for methyl 2-methoxy-4-methylpentanoate is COC(=O)C(CC(C)C)OC.
What is the InChIKey of methyl 2-methoxy-4-methylpentanoate?
The InChIKey is MRITUNXBFHKLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-6(2)5-7(10-3)8(9)11-4/h6-7H,5H2,1-4H3.
What are the key properties of methyl 2-methoxy-4-methylpentanoate?
methyl 2-methoxy-4-methylpentanoate has a molecular weight of 160.21 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-4-methylpentanoate is sourced from PubChem (CID 21366366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).