(Z)-1-phenyl-3-trimethylsilylhept-2-ene-1,4-dione

C16H22O2Si — CID 171377820

IUPAC(Z)-1-phenyl-3-trimethylsilylhept-2-ene-1,4-dione
SMILESCCCC(=O)/C(=C/C(=O)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C16H22O2Si/c1-5-9-14(17)16(19(2,3)4)12-15(18)13-10-7-6-8-11-13/h6-8,10-12H,5,9H2,1-4H3/b16-12-
InChIKeyDZMKBQKAQOUQKP-VBKFSLOCSA-N
MW274.44 g/mol
LogP4.04
Rot. Bonds6

About (Z)-1-phenyl-3-trimethylsilylhept-2-ene-1,4-dione

(Z)-1-phenyl-3-trimethylsilylhept-2-ene-1,4-dione (PubChem CID 171377820) has the molecular formula C16H22O2Si and a molecular weight of 274.44 g/mol. Its IUPAC name is (Z)-1-phenyl-3-trimethylsilylhept-2-ene-1,4-dione.

Molecular Properties

Compound Name(Z)-1-phenyl-3-trimethylsilylhept-2-ene-1,4-dione
PubChem CID171377820
Molecular FormulaC16H22O2Si
Molecular Weight274.44 g/mol
Exact Mass274.14
IUPAC Name(Z)-1-phenyl-3-trimethylsilylhept-2-ene-1,4-dione
SMILESCCCC(=O)/C(=C/C(=O)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C16H22O2Si/c1-5-9-14(17)16(19(2,3)4)12-15(18)13-10-7-6-8-11-13/h6-8,10-12H,5,9H2,1-4H3/b16-12-
InChIKeyDZMKBQKAQOUQKP-VBKFSLOCSA-N
XLogP4.04
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-phenylbutan-1-one
CID 10315
ethyl (E)-4-oxo-4-phenyl-3-trimethylsilylbut-2-enoate
CID 101412880
dichloroniobium;(Z)-3-oxo-1,3-diphenylprop-1-en-1-olate;bis(propan-1-ol)
CID 50937194
1-(dimethylamino)-2-phenylhex-1-en-3-one
CID 67384334
3-hydroxy-1-phenylbut-2-en-1-one;bis((E)-3-hydroxy-1-phenylbut-2-en-1-one);iron
CID 135504737
1-phenylbutan-1-one;hydrobromide
CID 139638507
5-phenacylidenenonanal
CID 71404073
1-[methyl(diphenyl)silyl]butan-1-one
CID 10587992
(E)-1,4-diphenyl-2-(1-trimethylsilylethenyl)but-2-ene-1,4-dione
CID 15339829
CID 6477793
CID 6477793
methanethiol;1-phenylbutan-1-one
CID 143799522
(E)-3-bromo-1-phenylbut-2-en-1-one
CID 13299915

Frequently Asked Questions

What is the IUPAC name of (Z)-1-phenyl-3-trimethylsilylhept-2-ene-1,4-dione?
The IUPAC name of (Z)-1-phenyl-3-trimethylsilylhept-2-ene-1,4-dione (CID 171377820) is (Z)-1-phenyl-3-trimethylsilylhept-2-ene-1,4-dione.
What is the SMILES notation for (Z)-1-phenyl-3-trimethylsilylhept-2-ene-1,4-dione?
The canonical SMILES for (Z)-1-phenyl-3-trimethylsilylhept-2-ene-1,4-dione is CCCC(=O)/C(=C/C(=O)c1ccccc1)[Si](C)(C)C.
What is the InChIKey of (Z)-1-phenyl-3-trimethylsilylhept-2-ene-1,4-dione?
The InChIKey is DZMKBQKAQOUQKP-VBKFSLOCSA-N. The full InChI is InChI=1S/C16H22O2Si/c1-5-9-14(17)16(19(2,3)4)12-15(18)13-10-7-6-8-11-13/h6-8,10-12H,5,9H2,1-4H3/b16-12-.
What are the key properties of (Z)-1-phenyl-3-trimethylsilylhept-2-ene-1,4-dione?
(Z)-1-phenyl-3-trimethylsilylhept-2-ene-1,4-dione has a molecular weight of 274.44 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-phenyl-3-trimethylsilylhept-2-ene-1,4-dione is sourced from PubChem (CID 171377820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).