1-(6-methoxy-3,4,5-trimethyloxan-2-yl)ethanone

C11H20O3 — CID 20760143

IUPAC1-(6-methoxy-3,4,5-trimethyloxan-2-yl)ethanone
SMILESCOC1OC(C(C)=O)C(C)C(C)C1C
InChIInChI=1S/C11H20O3/c1-6-7(2)10(9(4)12)14-11(13-5)8(6)3/h6-8,10-11H,1-5H3
InChIKeyADSCYEWGUKXSMH-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.86
Rot. Bonds2

About 1-(6-methoxy-3,4,5-trimethyloxan-2-yl)ethanone

1-(6-methoxy-3,4,5-trimethyloxan-2-yl)ethanone (PubChem CID 20760143) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(6-methoxy-3,4,5-trimethyloxan-2-yl)ethanone.

Molecular Properties

Compound Name1-(6-methoxy-3,4,5-trimethyloxan-2-yl)ethanone
PubChem CID20760143
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name1-(6-methoxy-3,4,5-trimethyloxan-2-yl)ethanone
SMILESCOC1OC(C(C)=O)C(C)C(C)C1C
InChIInChI=1S/C11H20O3/c1-6-7(2)10(9(4)12)14-11(13-5)8(6)3/h6-8,10-11H,1-5H3
InChIKeyADSCYEWGUKXSMH-UHFFFAOYSA-N
XLogP1.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3,4,5-trimethyloxan-2-yl)ethanone?
The IUPAC name of 1-(6-methoxy-3,4,5-trimethyloxan-2-yl)ethanone (CID 20760143) is 1-(6-methoxy-3,4,5-trimethyloxan-2-yl)ethanone.
What is the SMILES notation for 1-(6-methoxy-3,4,5-trimethyloxan-2-yl)ethanone?
The canonical SMILES for 1-(6-methoxy-3,4,5-trimethyloxan-2-yl)ethanone is COC1OC(C(C)=O)C(C)C(C)C1C.
What is the InChIKey of 1-(6-methoxy-3,4,5-trimethyloxan-2-yl)ethanone?
The InChIKey is ADSCYEWGUKXSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-6-7(2)10(9(4)12)14-11(13-5)8(6)3/h6-8,10-11H,1-5H3.
What are the key properties of 1-(6-methoxy-3,4,5-trimethyloxan-2-yl)ethanone?
1-(6-methoxy-3,4,5-trimethyloxan-2-yl)ethanone has a molecular weight of 200.28 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3,4,5-trimethyloxan-2-yl)ethanone is sourced from PubChem (CID 20760143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).