1-[3-(trimethylsilylmethyl)cyclohex-3-en-1-yl]ethanone

C12H22OSi — CID 12563465

IUPAC1-[3-(trimethylsilylmethyl)cyclohex-3-en-1-yl]ethanone
SMILESCC(=O)C1CCC=C(C[Si](C)(C)C)C1
InChIInChI=1S/C12H22OSi/c1-10(13)12-7-5-6-11(8-12)9-14(2,3)4/h6,12H,5,7-9H2,1-4H3
InChIKeyARQZXYFNKXJLRK-UHFFFAOYSA-N
MW210.39 g/mol
LogP3.64
Rot. Bonds3

About 1-[3-(trimethylsilylmethyl)cyclohex-3-en-1-yl]ethanone

1-[3-(trimethylsilylmethyl)cyclohex-3-en-1-yl]ethanone (PubChem CID 12563465) has the molecular formula C12H22OSi and a molecular weight of 210.39 g/mol. Its IUPAC name is 1-[3-(trimethylsilylmethyl)cyclohex-3-en-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(trimethylsilylmethyl)cyclohex-3-en-1-yl]ethanone
PubChem CID12563465
Molecular FormulaC12H22OSi
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Name1-[3-(trimethylsilylmethyl)cyclohex-3-en-1-yl]ethanone
SMILESCC(=O)C1CCC=C(C[Si](C)(C)C)C1
InChIInChI=1S/C12H22OSi/c1-10(13)12-7-5-6-11(8-12)9-14(2,3)4/h6,12H,5,7-9H2,1-4H3
InChIKeyARQZXYFNKXJLRK-UHFFFAOYSA-N
XLogP3.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[3-(trimethylsilylmethyl)cyclohex-3-en-1-yl]ethanone?
The IUPAC name of 1-[3-(trimethylsilylmethyl)cyclohex-3-en-1-yl]ethanone (CID 12563465) is 1-[3-(trimethylsilylmethyl)cyclohex-3-en-1-yl]ethanone.
What is the SMILES notation for 1-[3-(trimethylsilylmethyl)cyclohex-3-en-1-yl]ethanone?
The canonical SMILES for 1-[3-(trimethylsilylmethyl)cyclohex-3-en-1-yl]ethanone is CC(=O)C1CCC=C(C[Si](C)(C)C)C1.
What is the InChIKey of 1-[3-(trimethylsilylmethyl)cyclohex-3-en-1-yl]ethanone?
The InChIKey is ARQZXYFNKXJLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OSi/c1-10(13)12-7-5-6-11(8-12)9-14(2,3)4/h6,12H,5,7-9H2,1-4H3.
What are the key properties of 1-[3-(trimethylsilylmethyl)cyclohex-3-en-1-yl]ethanone?
1-[3-(trimethylsilylmethyl)cyclohex-3-en-1-yl]ethanone has a molecular weight of 210.39 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trimethylsilylmethyl)cyclohex-3-en-1-yl]ethanone is sourced from PubChem (CID 12563465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).