1-(2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl)ethanone

C13H24O3Si — CID 13429197

IUPAC1-(2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl)ethanone
SMILESCOC1C=C(O[Si](C)(C)C)CCC1(C)C(C)=O
InChIInChI=1S/C13H24O3Si/c1-10(14)13(2)8-7-11(9-12(13)15-3)16-17(4,5)6/h9,12H,7-8H2,1-6H3
InChIKeyZPKGQNPVDZFJRU-UHFFFAOYSA-N
MW256.42 g/mol
LogP3.13
Rot. Bonds4

About 1-(2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl)ethanone

1-(2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl)ethanone (PubChem CID 13429197) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is 1-(2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl)ethanone
PubChem CID13429197
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name1-(2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl)ethanone
SMILESCOC1C=C(O[Si](C)(C)C)CCC1(C)C(C)=O
InChIInChI=1S/C13H24O3Si/c1-10(14)13(2)8-7-11(9-12(13)15-3)16-17(4,5)6/h9,12H,7-8H2,1-6H3
InChIKeyZPKGQNPVDZFJRU-UHFFFAOYSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl)ethanone?
The IUPAC name of 1-(2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl)ethanone (CID 13429197) is 1-(2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl)ethanone.
What is the SMILES notation for 1-(2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl)ethanone?
The canonical SMILES for 1-(2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl)ethanone is COC1C=C(O[Si](C)(C)C)CCC1(C)C(C)=O.
What is the InChIKey of 1-(2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl)ethanone?
The InChIKey is ZPKGQNPVDZFJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-10(14)13(2)8-7-11(9-12(13)15-3)16-17(4,5)6/h9,12H,7-8H2,1-6H3.
What are the key properties of 1-(2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl)ethanone?
1-(2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl)ethanone has a molecular weight of 256.42 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl)ethanone is sourced from PubChem (CID 13429197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).