4-phenyl-1-trimethylsilylhex-5-en-3-one

C15H22OSi — CID 101401764

IUPAC4-phenyl-1-trimethylsilylhex-5-en-3-one
SMILESC=CC(C(=O)CC[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C15H22OSi/c1-5-14(13-9-7-6-8-10-13)15(16)11-12-17(2,3)4/h5-10,14H,1,11-12H2,2-4H3
InChIKeyDLGDBQGNZOZMQH-UHFFFAOYSA-N
MW246.43 g/mol
LogP4.25
Rot. Bonds6

About 4-phenyl-1-trimethylsilylhex-5-en-3-one

4-phenyl-1-trimethylsilylhex-5-en-3-one (PubChem CID 101401764) has the molecular formula C15H22OSi and a molecular weight of 246.43 g/mol. Its IUPAC name is 4-phenyl-1-trimethylsilylhex-5-en-3-one.

Molecular Properties

Compound Name4-phenyl-1-trimethylsilylhex-5-en-3-one
PubChem CID101401764
Molecular FormulaC15H22OSi
Molecular Weight246.43 g/mol
Exact Mass246.14
IUPAC Name4-phenyl-1-trimethylsilylhex-5-en-3-one
SMILESC=CC(C(=O)CC[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C15H22OSi/c1-5-14(13-9-7-6-8-10-13)15(16)11-12-17(2,3)4/h5-10,14H,1,11-12H2,2-4H3
InChIKeyDLGDBQGNZOZMQH-UHFFFAOYSA-N
XLogP4.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.43
LogP ≤ 54.25
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'}

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Related Compounds

2-methylidene-3-phenylpent-4-enoic acid
CID 10352456
ethane;methyl 2-phenylbut-3-enoate
CID 177056138
(3Z)-4-(1-phenylprop-2-enyl)nona-1,3-dien-5-one
CID 102526204
4-phenyl-1-trimethylsilylhept-6-en-1-one
CID 102315107
1-[dimethyl(phenyl)silyl]-3-trimethylsilylpropan-1-one
CID 101379873
4,6-diphenylnona-1,8-dien-5-one
CID 69419927
(3S)-3-phenylpent-4-enoic acid
CID 92981953
1,4-diphenyl-5-trimethylsilylpentan-1-one
CID 102209299
4-phenylhex-5-enoate
CID 140706037
(2S)-2-methyl-3-phenylpent-4-enoic acid
CID 70506498
1,1,2-triphenylpenta-1,4-dien-3-ylbenzene
CID 173400306
(1R,2S)-1-phenyl-2-trimethylsilylbut-3-en-1-ol
CID 12705031

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-trimethylsilylhex-5-en-3-one?
The IUPAC name of 4-phenyl-1-trimethylsilylhex-5-en-3-one (CID 101401764) is 4-phenyl-1-trimethylsilylhex-5-en-3-one.
What is the SMILES notation for 4-phenyl-1-trimethylsilylhex-5-en-3-one?
The canonical SMILES for 4-phenyl-1-trimethylsilylhex-5-en-3-one is C=CC(C(=O)CC[Si](C)(C)C)c1ccccc1.
What is the InChIKey of 4-phenyl-1-trimethylsilylhex-5-en-3-one?
The InChIKey is DLGDBQGNZOZMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22OSi/c1-5-14(13-9-7-6-8-10-13)15(16)11-12-17(2,3)4/h5-10,14H,1,11-12H2,2-4H3.
What are the key properties of 4-phenyl-1-trimethylsilylhex-5-en-3-one?
4-phenyl-1-trimethylsilylhex-5-en-3-one has a molecular weight of 246.43 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-trimethylsilylhex-5-en-3-one is sourced from PubChem (CID 101401764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).