1-(3-methylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-one

C13H22OSi — CID 71323074

IUPAC1-(3-methylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-one
SMILESCC1C=C(C(=O)C=C[Si](C)(C)C)CCC1
InChIInChI=1S/C13H22OSi/c1-11-6-5-7-12(10-11)13(14)8-9-15(2,3)4/h8-11H,5-7H2,1-4H3
InChIKeyUXTDBPZPTLNYNL-UHFFFAOYSA-N
MW222.40 g/mol
LogP3.74
Rot. Bonds3

About 1-(3-methylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-one

1-(3-methylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-one (PubChem CID 71323074) has the molecular formula C13H22OSi and a molecular weight of 222.40 g/mol. Its IUPAC name is 1-(3-methylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-one.

Molecular Properties

Compound Name1-(3-methylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-one
PubChem CID71323074
Molecular FormulaC13H22OSi
Molecular Weight222.40 g/mol
Exact Mass222.14
IUPAC Name1-(3-methylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-one
SMILESCC1C=C(C(=O)C=C[Si](C)(C)C)CCC1
InChIInChI=1S/C13H22OSi/c1-11-6-5-7-12(10-11)13(14)8-9-15(2,3)4/h8-11H,5-7H2,1-4H3
InChIKeyUXTDBPZPTLNYNL-UHFFFAOYSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-one?
The IUPAC name of 1-(3-methylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-one (CID 71323074) is 1-(3-methylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-one.
What is the SMILES notation for 1-(3-methylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-one?
The canonical SMILES for 1-(3-methylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-one is CC1C=C(C(=O)C=C[Si](C)(C)C)CCC1.
What is the InChIKey of 1-(3-methylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-one?
The InChIKey is UXTDBPZPTLNYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OSi/c1-11-6-5-7-12(10-11)13(14)8-9-15(2,3)4/h8-11H,5-7H2,1-4H3.
What are the key properties of 1-(3-methylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-one?
1-(3-methylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-one has a molecular weight of 222.40 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-one is sourced from PubChem (CID 71323074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).