methyl 2-methyl-3-(oxan-2-yloxy)butanoate

C11H20O4 — CID 85365328

IUPACmethyl 2-methyl-3-(oxan-2-yloxy)butanoate
SMILESCOC(=O)C(C)C(C)OC1CCCCO1
InChIInChI=1S/C11H20O4/c1-8(11(12)13-3)9(2)15-10-6-4-5-7-14-10/h8-10H,4-7H2,1-3H3
InChIKeyIGDRTHKCYJEITE-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.73
Rot. Bonds4

About methyl 2-methyl-3-(oxan-2-yloxy)butanoate

methyl 2-methyl-3-(oxan-2-yloxy)butanoate (PubChem CID 85365328) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 2-methyl-3-(oxan-2-yloxy)butanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-(oxan-2-yloxy)butanoate
PubChem CID85365328
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Namemethyl 2-methyl-3-(oxan-2-yloxy)butanoate
SMILESCOC(=O)C(C)C(C)OC1CCCCO1
InChIInChI=1S/C11H20O4/c1-8(11(12)13-3)9(2)15-10-6-4-5-7-14-10/h8-10H,4-7H2,1-3H3
InChIKeyIGDRTHKCYJEITE-UHFFFAOYSA-N
XLogP1.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-(oxan-2-yloxy)butanoate?
The IUPAC name of methyl 2-methyl-3-(oxan-2-yloxy)butanoate (CID 85365328) is methyl 2-methyl-3-(oxan-2-yloxy)butanoate.
What is the SMILES notation for methyl 2-methyl-3-(oxan-2-yloxy)butanoate?
The canonical SMILES for methyl 2-methyl-3-(oxan-2-yloxy)butanoate is COC(=O)C(C)C(C)OC1CCCCO1.
What is the InChIKey of methyl 2-methyl-3-(oxan-2-yloxy)butanoate?
The InChIKey is IGDRTHKCYJEITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-8(11(12)13-3)9(2)15-10-6-4-5-7-14-10/h8-10H,4-7H2,1-3H3.
What are the key properties of methyl 2-methyl-3-(oxan-2-yloxy)butanoate?
methyl 2-methyl-3-(oxan-2-yloxy)butanoate has a molecular weight of 216.28 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-(oxan-2-yloxy)butanoate is sourced from PubChem (CID 85365328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).