(1E)-1-(2,4,6-trimethylphenyl)-2-trimethylsilylhexa-1,5-dien-3-one

C18H26OSi — CID 162404923

IUPAC(1E)-1-(2,4,6-trimethylphenyl)-2-trimethylsilylhexa-1,5-dien-3-one
SMILESC=CCC(=O)/C(=C\c1c(C)cc(C)cc1C)[Si](C)(C)C
InChIInChI=1S/C18H26OSi/c1-8-9-17(19)18(20(5,6)7)12-16-14(3)10-13(2)11-15(16)4/h8,10-12H,1,9H2,2-7H3/b18-12+
InChIKeyKAYQUCHWYIWWEH-LDADJPATSA-N
MW286.49 g/mol
LogP5.02
Rot. Bonds5

About (1E)-1-(2,4,6-trimethylphenyl)-2-trimethylsilylhexa-1,5-dien-3-one

(1E)-1-(2,4,6-trimethylphenyl)-2-trimethylsilylhexa-1,5-dien-3-one (PubChem CID 162404923) has the molecular formula C18H26OSi and a molecular weight of 286.49 g/mol. Its IUPAC name is (1E)-1-(2,4,6-trimethylphenyl)-2-trimethylsilylhexa-1,5-dien-3-one.

Molecular Properties

Compound Name(1E)-1-(2,4,6-trimethylphenyl)-2-trimethylsilylhexa-1,5-dien-3-one
PubChem CID162404923
Molecular FormulaC18H26OSi
Molecular Weight286.49 g/mol
Exact Mass286.18
IUPAC Name(1E)-1-(2,4,6-trimethylphenyl)-2-trimethylsilylhexa-1,5-dien-3-one
SMILESC=CCC(=O)/C(=C\c1c(C)cc(C)cc1C)[Si](C)(C)C
InChIInChI=1S/C18H26OSi/c1-8-9-17(19)18(20(5,6)7)12-16-14(3)10-13(2)11-15(16)4/h8,10-12H,1,9H2,2-7H3/b18-12+
InChIKeyKAYQUCHWYIWWEH-LDADJPATSA-N
XLogP5.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.49
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-(2,4,6-trimethylphenyl)-2-trimethylsilylhexa-1,5-dien-3-one?
The IUPAC name of (1E)-1-(2,4,6-trimethylphenyl)-2-trimethylsilylhexa-1,5-dien-3-one (CID 162404923) is (1E)-1-(2,4,6-trimethylphenyl)-2-trimethylsilylhexa-1,5-dien-3-one.
What is the SMILES notation for (1E)-1-(2,4,6-trimethylphenyl)-2-trimethylsilylhexa-1,5-dien-3-one?
The canonical SMILES for (1E)-1-(2,4,6-trimethylphenyl)-2-trimethylsilylhexa-1,5-dien-3-one is C=CCC(=O)/C(=C\c1c(C)cc(C)cc1C)[Si](C)(C)C.
What is the InChIKey of (1E)-1-(2,4,6-trimethylphenyl)-2-trimethylsilylhexa-1,5-dien-3-one?
The InChIKey is KAYQUCHWYIWWEH-LDADJPATSA-N. The full InChI is InChI=1S/C18H26OSi/c1-8-9-17(19)18(20(5,6)7)12-16-14(3)10-13(2)11-15(16)4/h8,10-12H,1,9H2,2-7H3/b18-12+.
What are the key properties of (1E)-1-(2,4,6-trimethylphenyl)-2-trimethylsilylhexa-1,5-dien-3-one?
(1E)-1-(2,4,6-trimethylphenyl)-2-trimethylsilylhexa-1,5-dien-3-one has a molecular weight of 286.49 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(2,4,6-trimethylphenyl)-2-trimethylsilylhexa-1,5-dien-3-one is sourced from PubChem (CID 162404923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).