(1E)-4,4-dimethyl-1,7,7-triphenyl-5-trimethylsilylhepta-1,5,6-trien-3-one

C30H32OSi — CID 101226954

IUPAC(1E)-4,4-dimethyl-1,7,7-triphenyl-5-trimethylsilylhepta-1,5,6-trien-3-one
SMILESCC(C)(C(=O)/C=C/c1ccccc1)C(=C=C(c1ccccc1)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C30H32OSi/c1-30(2,28(31)22-21-24-15-9-6-10-16-24)29(32(3,4)5)23-27(25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-22H,1-5H3/b22-21+
InChIKeyKSCLCDZIHCLNKH-QURGRASLSA-N
MW436.67 g/mol
LogP7.83
Rot. Bonds7

About (1E)-4,4-dimethyl-1,7,7-triphenyl-5-trimethylsilylhepta-1,5,6-trien-3-one

(1E)-4,4-dimethyl-1,7,7-triphenyl-5-trimethylsilylhepta-1,5,6-trien-3-one (PubChem CID 101226954) has the molecular formula C30H32OSi and a molecular weight of 436.67 g/mol. Its IUPAC name is (1E)-4,4-dimethyl-1,7,7-triphenyl-5-trimethylsilylhepta-1,5,6-trien-3-one.

Molecular Properties

Compound Name(1E)-4,4-dimethyl-1,7,7-triphenyl-5-trimethylsilylhepta-1,5,6-trien-3-one
PubChem CID101226954
Molecular FormulaC30H32OSi
Molecular Weight436.67 g/mol
Exact Mass436.22
IUPAC Name(1E)-4,4-dimethyl-1,7,7-triphenyl-5-trimethylsilylhepta-1,5,6-trien-3-one
SMILESCC(C)(C(=O)/C=C/c1ccccc1)C(=C=C(c1ccccc1)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C30H32OSi/c1-30(2,28(31)22-21-24-15-9-6-10-16-24)29(32(3,4)5)23-27(25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-22H,1-5H3/b22-21+
InChIKeyKSCLCDZIHCLNKH-QURGRASLSA-N
XLogP7.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.67
LogP ≤ 57.83
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'}

Analyze (1E)-4,4-dimethyl-1,7,7-triphenyl-5-trimethylsilylhepta-1,5,6-trien-3-one with MolForge

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Related Compounds

ethyl (E)-2,2-dimethyl-3-oxo-5-phenylpent-4-enoate
CID 102065413
1,5-diphenyl-1-trimethylsilylpenta-1,4-dien-3-one;bis(palladium)
CID 175858703
diphenylmethanone;(E)-3-phenylprop-2-enoic acid
CID 70019468
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
2-hydroxy-3-oxo-5-phenylpent-4-ene-2-sulfonic acid
CID 141200836
(Z,4S)-4-[(dimethylamino)methyl]-4-methyl-1-phenyloct-1-en-3-one
CID 92528789
(1E,6E)-5-hydroxy-4,4-dimethyl-1,7-diphenylhepta-1,6-dien-3-one
CID 153310935
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;1-phenylethanone
CID 160723303
(E)-1-(4-tert-butylphenyl)-3-phenylprop-2-en-1-one
CID 6156309
1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-one
CID 71332412
trimethyl-[(E,3Z)-5-phenyl-3-[phenyl(trimethylsilyl)methylidene]pent-4-en-1-ynyl]silane
CID 135024062
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787

Frequently Asked Questions

What is the IUPAC name of (1E)-4,4-dimethyl-1,7,7-triphenyl-5-trimethylsilylhepta-1,5,6-trien-3-one?
The IUPAC name of (1E)-4,4-dimethyl-1,7,7-triphenyl-5-trimethylsilylhepta-1,5,6-trien-3-one (CID 101226954) is (1E)-4,4-dimethyl-1,7,7-triphenyl-5-trimethylsilylhepta-1,5,6-trien-3-one.
What is the SMILES notation for (1E)-4,4-dimethyl-1,7,7-triphenyl-5-trimethylsilylhepta-1,5,6-trien-3-one?
The canonical SMILES for (1E)-4,4-dimethyl-1,7,7-triphenyl-5-trimethylsilylhepta-1,5,6-trien-3-one is CC(C)(C(=O)/C=C/c1ccccc1)C(=C=C(c1ccccc1)c1ccccc1)[Si](C)(C)C.
What is the InChIKey of (1E)-4,4-dimethyl-1,7,7-triphenyl-5-trimethylsilylhepta-1,5,6-trien-3-one?
The InChIKey is KSCLCDZIHCLNKH-QURGRASLSA-N. The full InChI is InChI=1S/C30H32OSi/c1-30(2,28(31)22-21-24-15-9-6-10-16-24)29(32(3,4)5)23-27(25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-22H,1-5H3/b22-21+.
What are the key properties of (1E)-4,4-dimethyl-1,7,7-triphenyl-5-trimethylsilylhepta-1,5,6-trien-3-one?
(1E)-4,4-dimethyl-1,7,7-triphenyl-5-trimethylsilylhepta-1,5,6-trien-3-one has a molecular weight of 436.67 g/mol, XLogP of 7.83, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-4,4-dimethyl-1,7,7-triphenyl-5-trimethylsilylhepta-1,5,6-trien-3-one is sourced from PubChem (CID 101226954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).