[4-(methoxymethyl)-2,4-dimethyloxan-3-yl] acetate

C11H20O4 — CID 143618605

IUPAC[4-(methoxymethyl)-2,4-dimethyloxan-3-yl] acetate
SMILESCOCC1(C)CCOC(C)C1OC(C)=O
InChIInChI=1S/C11H20O4/c1-8-10(15-9(2)12)11(3,7-13-4)5-6-14-8/h8,10H,5-7H2,1-4H3
InChIKeyZVUWXNYSPKZSLM-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.38
Rot. Bonds3

About [4-(methoxymethyl)-2,4-dimethyloxan-3-yl] acetate

[4-(methoxymethyl)-2,4-dimethyloxan-3-yl] acetate (PubChem CID 143618605) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is [4-(methoxymethyl)-2,4-dimethyloxan-3-yl] acetate.

Molecular Properties

Compound Name[4-(methoxymethyl)-2,4-dimethyloxan-3-yl] acetate
PubChem CID143618605
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name[4-(methoxymethyl)-2,4-dimethyloxan-3-yl] acetate
SMILESCOCC1(C)CCOC(C)C1OC(C)=O
InChIInChI=1S/C11H20O4/c1-8-10(15-9(2)12)11(3,7-13-4)5-6-14-8/h8,10H,5-7H2,1-4H3
InChIKeyZVUWXNYSPKZSLM-UHFFFAOYSA-N
XLogP1.38
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-2,4-dimethyloxan-3-yl] acetate?
The IUPAC name of [4-(methoxymethyl)-2,4-dimethyloxan-3-yl] acetate (CID 143618605) is [4-(methoxymethyl)-2,4-dimethyloxan-3-yl] acetate.
What is the SMILES notation for [4-(methoxymethyl)-2,4-dimethyloxan-3-yl] acetate?
The canonical SMILES for [4-(methoxymethyl)-2,4-dimethyloxan-3-yl] acetate is COCC1(C)CCOC(C)C1OC(C)=O.
What is the InChIKey of [4-(methoxymethyl)-2,4-dimethyloxan-3-yl] acetate?
The InChIKey is ZVUWXNYSPKZSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-8-10(15-9(2)12)11(3,7-13-4)5-6-14-8/h8,10H,5-7H2,1-4H3.
What are the key properties of [4-(methoxymethyl)-2,4-dimethyloxan-3-yl] acetate?
[4-(methoxymethyl)-2,4-dimethyloxan-3-yl] acetate has a molecular weight of 216.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-2,4-dimethyloxan-3-yl] acetate is sourced from PubChem (CID 143618605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).