(E)-4-[dimethyl(phenyl)silyl]-3-trimethylsilylbut-3-en-2-one

C15H24OSi2 — CID 134889844

IUPAC(E)-4-[dimethyl(phenyl)silyl]-3-trimethylsilylbut-3-en-2-one
SMILESCC(=O)/C(=C\[Si](C)(C)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C15H24OSi2/c1-13(16)15(17(2,3)4)12-18(5,6)14-10-8-7-9-11-14/h7-12H,1-6H3/b15-12+
InChIKeyOJTHJSUOBVXSPF-NTCAYCPXSA-N
MW276.53 g/mol
LogP3.53
Rot. Bonds4

About (E)-4-[dimethyl(phenyl)silyl]-3-trimethylsilylbut-3-en-2-one

(E)-4-[dimethyl(phenyl)silyl]-3-trimethylsilylbut-3-en-2-one (PubChem CID 134889844) has the molecular formula C15H24OSi2 and a molecular weight of 276.53 g/mol. Its IUPAC name is (E)-4-[dimethyl(phenyl)silyl]-3-trimethylsilylbut-3-en-2-one.

Molecular Properties

Compound Name(E)-4-[dimethyl(phenyl)silyl]-3-trimethylsilylbut-3-en-2-one
PubChem CID134889844
Molecular FormulaC15H24OSi2
Molecular Weight276.53 g/mol
Exact Mass276.14
IUPAC Name(E)-4-[dimethyl(phenyl)silyl]-3-trimethylsilylbut-3-en-2-one
SMILESCC(=O)/C(=C\[Si](C)(C)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C15H24OSi2/c1-13(16)15(17(2,3)4)12-18(5,6)14-10-8-7-9-11-14/h7-12H,1-6H3/b15-12+
InChIKeyOJTHJSUOBVXSPF-NTCAYCPXSA-N
XLogP3.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.53
LogP ≤ 53.53
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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Related Compounds

1,4-Bis(trimethylsilyl)benzene
CID 25771
1,4-Phenylenebis(dimethylsilane)
CID 6328729
1,2-Bis(trimethylsilyl)benzene
CID 519794
Pentamethylphenyldisiloxane
CID 26965
1,4-Bis(dimethylvinylsilyl)benzene
CID 320767
Benzene, 1,2,4-tris-trimethylsilyl-
CID 140292
1,2-Bis(dimethylsilyl)benzene
CID 6364986
(1,3-Phenylene)bis(trimethylsilane)
CID 12358188
Acetylphenyldimethylsilane
CID 11041289
4-[Dimethyl(phenyl)silyl]but-3-yn-2-one
CID 11310201
(E)-3-[dimethyl(phenyl)silyl]prop-2-enal
CID 11819861
3-[Dimethyl(phenyl)silyl]propanal
CID 15391460

Frequently Asked Questions

What is the IUPAC name of (E)-4-[dimethyl(phenyl)silyl]-3-trimethylsilylbut-3-en-2-one?
The IUPAC name of (E)-4-[dimethyl(phenyl)silyl]-3-trimethylsilylbut-3-en-2-one (CID 134889844) is (E)-4-[dimethyl(phenyl)silyl]-3-trimethylsilylbut-3-en-2-one.
What is the SMILES notation for (E)-4-[dimethyl(phenyl)silyl]-3-trimethylsilylbut-3-en-2-one?
The canonical SMILES for (E)-4-[dimethyl(phenyl)silyl]-3-trimethylsilylbut-3-en-2-one is CC(=O)/C(=C\[Si](C)(C)c1ccccc1)[Si](C)(C)C.
What is the InChIKey of (E)-4-[dimethyl(phenyl)silyl]-3-trimethylsilylbut-3-en-2-one?
The InChIKey is OJTHJSUOBVXSPF-NTCAYCPXSA-N. The full InChI is InChI=1S/C15H24OSi2/c1-13(16)15(17(2,3)4)12-18(5,6)14-10-8-7-9-11-14/h7-12H,1-6H3/b15-12+.
What are the key properties of (E)-4-[dimethyl(phenyl)silyl]-3-trimethylsilylbut-3-en-2-one?
(E)-4-[dimethyl(phenyl)silyl]-3-trimethylsilylbut-3-en-2-one has a molecular weight of 276.53 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[dimethyl(phenyl)silyl]-3-trimethylsilylbut-3-en-2-one is sourced from PubChem (CID 134889844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).