(E)-1-triphenylsilylpent-2-ene-1,4-dione

C23H20O2Si — CID 101115094

IUPAC(E)-1-triphenylsilylpent-2-ene-1,4-dione
SMILESCC(=O)/C=C/C(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20O2Si/c1-19(24)17-18-23(25)26(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,1H3/b18-17+
InChIKeyOJFAIPLZQMAOIF-ISLYRVAYSA-N
MW356.50 g/mol
LogP2.41
Rot. Bonds6

About (E)-1-triphenylsilylpent-2-ene-1,4-dione

(E)-1-triphenylsilylpent-2-ene-1,4-dione (PubChem CID 101115094) has the molecular formula C23H20O2Si and a molecular weight of 356.50 g/mol. Its IUPAC name is (E)-1-triphenylsilylpent-2-ene-1,4-dione.

Molecular Properties

Compound Name(E)-1-triphenylsilylpent-2-ene-1,4-dione
PubChem CID101115094
Molecular FormulaC23H20O2Si
Molecular Weight356.50 g/mol
Exact Mass356.12
IUPAC Name(E)-1-triphenylsilylpent-2-ene-1,4-dione
SMILESCC(=O)/C=C/C(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20O2Si/c1-19(24)17-18-23(25)26(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,1H3/b18-17+
InChIKeyOJFAIPLZQMAOIF-ISLYRVAYSA-N
XLogP2.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 52.41
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

Rhodium, carbonyl(2,4-pentanedionato-kappaO2,kappaO4)(triphenylphosphine)-, (SP-4-2)-
CID 5486408
Acetyltriphenylsilane
CID 5226386
2,5-Bis(phenylselanyl)cyclohexa-2,5-diene-1,4-dione
CID 145951941
(tert-Butylperoxy)(triphenyl)silane
CID 15606852
(R,E)-6-((tert-Butyldiphenylsilyl)oxy)-3-fluoro-5-methylhex-3-en-2-one
CID 11531103
(R,Z)-6-((tert-Butyldiphenylsilyl)oxy)-3-fluoro-5-methylhex-3-en-2-one
CID 11639588
2-Fluoro-1-triphenylsilylethanone
CID 86003433
(E)-1-triphenylgermylbut-2-en-1-one
CID 11646445
3,4-Bis[dimethyl(phenyl)silyl]cyclobut-3-ene-1,2-dione
CID 11792193
(E)-3-iodo-1-triphenylsilylprop-2-en-1-one
CID 14934032
(E)-3-tributylstannyl-1-triphenylsilylprop-2-en-1-one
CID 14934034
(2E)-1-triphenylsilylpenta-2,4-dien-1-one
CID 14934037

Frequently Asked Questions

What is the IUPAC name of (E)-1-triphenylsilylpent-2-ene-1,4-dione?
The IUPAC name of (E)-1-triphenylsilylpent-2-ene-1,4-dione (CID 101115094) is (E)-1-triphenylsilylpent-2-ene-1,4-dione.
What is the SMILES notation for (E)-1-triphenylsilylpent-2-ene-1,4-dione?
The canonical SMILES for (E)-1-triphenylsilylpent-2-ene-1,4-dione is CC(=O)/C=C/C(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-1-triphenylsilylpent-2-ene-1,4-dione?
The InChIKey is OJFAIPLZQMAOIF-ISLYRVAYSA-N. The full InChI is InChI=1S/C23H20O2Si/c1-19(24)17-18-23(25)26(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,1H3/b18-17+.
What are the key properties of (E)-1-triphenylsilylpent-2-ene-1,4-dione?
(E)-1-triphenylsilylpent-2-ene-1,4-dione has a molecular weight of 356.50 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-triphenylsilylpent-2-ene-1,4-dione is sourced from PubChem (CID 101115094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).