1-(2-trimethylsilyloxycyclohex-3-en-1-yl)ethanone

C11H20O2Si — CID 14038429

IUPAC1-(2-trimethylsilyloxycyclohex-3-en-1-yl)ethanone
SMILESCC(=O)C1CCC=CC1O[Si](C)(C)C
InChIInChI=1S/C11H20O2Si/c1-9(12)10-7-5-6-8-11(10)13-14(2,3)4/h6,8,10-11H,5,7H2,1-4H3
InChIKeyLEGRENWICFHEGO-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.76
Rot. Bonds3

About 1-(2-trimethylsilyloxycyclohex-3-en-1-yl)ethanone

1-(2-trimethylsilyloxycyclohex-3-en-1-yl)ethanone (PubChem CID 14038429) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-(2-trimethylsilyloxycyclohex-3-en-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-trimethylsilyloxycyclohex-3-en-1-yl)ethanone
PubChem CID14038429
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name1-(2-trimethylsilyloxycyclohex-3-en-1-yl)ethanone
SMILESCC(=O)C1CCC=CC1O[Si](C)(C)C
InChIInChI=1S/C11H20O2Si/c1-9(12)10-7-5-6-8-11(10)13-14(2,3)4/h6,8,10-11H,5,7H2,1-4H3
InChIKeyLEGRENWICFHEGO-UHFFFAOYSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-trimethylsilyloxycyclohex-3-en-1-yl)ethanone?
The IUPAC name of 1-(2-trimethylsilyloxycyclohex-3-en-1-yl)ethanone (CID 14038429) is 1-(2-trimethylsilyloxycyclohex-3-en-1-yl)ethanone.
What is the SMILES notation for 1-(2-trimethylsilyloxycyclohex-3-en-1-yl)ethanone?
The canonical SMILES for 1-(2-trimethylsilyloxycyclohex-3-en-1-yl)ethanone is CC(=O)C1CCC=CC1O[Si](C)(C)C.
What is the InChIKey of 1-(2-trimethylsilyloxycyclohex-3-en-1-yl)ethanone?
The InChIKey is LEGRENWICFHEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-9(12)10-7-5-6-8-11(10)13-14(2,3)4/h6,8,10-11H,5,7H2,1-4H3.
What are the key properties of 1-(2-trimethylsilyloxycyclohex-3-en-1-yl)ethanone?
1-(2-trimethylsilyloxycyclohex-3-en-1-yl)ethanone has a molecular weight of 212.36 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-trimethylsilyloxycyclohex-3-en-1-yl)ethanone is sourced from PubChem (CID 14038429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).