(E)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-one

C12H20OSi — CID 12935869

IUPAC(E)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-one
SMILESC[Si](C)(C)/C=C/C(=O)C1=CCCCC1
InChIInChI=1S/C12H20OSi/c1-14(2,3)10-9-12(13)11-7-5-4-6-8-11/h7,9-10H,4-6,8H2,1-3H3/b10-9+
InChIKeyNUAIKLKOLFORDL-MDZDMXLPSA-N
MW208.38 g/mol
LogP3.49
Rot. Bonds3

About (E)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-one

(E)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-one (PubChem CID 12935869) has the molecular formula C12H20OSi and a molecular weight of 208.38 g/mol. Its IUPAC name is (E)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-one
PubChem CID12935869
Molecular FormulaC12H20OSi
Molecular Weight208.38 g/mol
Exact Mass208.13
IUPAC Name(E)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-one
SMILESC[Si](C)(C)/C=C/C(=O)C1=CCCCC1
InChIInChI=1S/C12H20OSi/c1-14(2,3)10-9-12(13)11-7-5-4-6-8-11/h7,9-10H,4-6,8H2,1-3H3/b10-9+
InChIKeyNUAIKLKOLFORDL-MDZDMXLPSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.38
LogP ≤ 53.49
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 (E)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-one?
The IUPAC name of (E)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-one (CID 12935869) is (E)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-one?
The canonical SMILES for (E)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-one is C[Si](C)(C)/C=C/C(=O)C1=CCCCC1.
What is the InChIKey of (E)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-one?
The InChIKey is NUAIKLKOLFORDL-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H20OSi/c1-14(2,3)10-9-12(13)11-7-5-4-6-8-11/h7,9-10H,4-6,8H2,1-3H3/b10-9+.
What are the key properties of (E)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-one?
(E)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-one has a molecular weight of 208.38 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-one is sourced from PubChem (CID 12935869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).