3-(1-trimethylsilylpropa-1,2-dienyl)cyclohex-2-en-1-one

C12H18OSi — CID 14295007

IUPAC3-(1-trimethylsilylpropa-1,2-dienyl)cyclohex-2-en-1-one
SMILESC=C=C(C1=CC(=O)CCC1)[Si](C)(C)C
InChIInChI=1S/C12H18OSi/c1-5-12(14(2,3)4)10-7-6-8-11(13)9-10/h9H,1,6-8H2,2-4H3
InChIKeyAYJVQKBRNDXYEA-UHFFFAOYSA-N
MW206.36 g/mol
LogP3.25
Rot. Bonds2

About 3-(1-trimethylsilylpropa-1,2-dienyl)cyclohex-2-en-1-one

3-(1-trimethylsilylpropa-1,2-dienyl)cyclohex-2-en-1-one (PubChem CID 14295007) has the molecular formula C12H18OSi and a molecular weight of 206.36 g/mol. Its IUPAC name is 3-(1-trimethylsilylpropa-1,2-dienyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(1-trimethylsilylpropa-1,2-dienyl)cyclohex-2-en-1-one
PubChem CID14295007
Molecular FormulaC12H18OSi
Molecular Weight206.36 g/mol
Exact Mass206.11
IUPAC Name3-(1-trimethylsilylpropa-1,2-dienyl)cyclohex-2-en-1-one
SMILESC=C=C(C1=CC(=O)CCC1)[Si](C)(C)C
InChIInChI=1S/C12H18OSi/c1-5-12(14(2,3)4)10-7-6-8-11(13)9-10/h9H,1,6-8H2,2-4H3
InChIKeyAYJVQKBRNDXYEA-UHFFFAOYSA-N
XLogP3.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.36
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-(1-trimethylsilylpropa-1,2-dienyl)cyclohex-2-en-1-one?
The IUPAC name of 3-(1-trimethylsilylpropa-1,2-dienyl)cyclohex-2-en-1-one (CID 14295007) is 3-(1-trimethylsilylpropa-1,2-dienyl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(1-trimethylsilylpropa-1,2-dienyl)cyclohex-2-en-1-one?
The canonical SMILES for 3-(1-trimethylsilylpropa-1,2-dienyl)cyclohex-2-en-1-one is C=C=C(C1=CC(=O)CCC1)[Si](C)(C)C.
What is the InChIKey of 3-(1-trimethylsilylpropa-1,2-dienyl)cyclohex-2-en-1-one?
The InChIKey is AYJVQKBRNDXYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OSi/c1-5-12(14(2,3)4)10-7-6-8-11(13)9-10/h9H,1,6-8H2,2-4H3.
What are the key properties of 3-(1-trimethylsilylpropa-1,2-dienyl)cyclohex-2-en-1-one?
3-(1-trimethylsilylpropa-1,2-dienyl)cyclohex-2-en-1-one has a molecular weight of 206.36 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-trimethylsilylpropa-1,2-dienyl)cyclohex-2-en-1-one is sourced from PubChem (CID 14295007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).