1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-one

C14H16OSi — CID 71332412

IUPAC1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-one
SMILESC[Si](C)(C)C#CC(=O)C=Cc1ccccc1
InChIInChI=1S/C14H16OSi/c1-16(2,3)12-11-14(15)10-9-13-7-5-4-6-8-13/h4-10H,1-3H3
InChIKeyVCISWHKPHHXHPY-UHFFFAOYSA-N
MW228.37 g/mol
LogP3.15
Rot. Bonds2

About 1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-one

1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-one (PubChem CID 71332412) has the molecular formula C14H16OSi and a molecular weight of 228.37 g/mol. Its IUPAC name is 1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-one.

Molecular Properties

Compound Name1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-one
PubChem CID71332412
Molecular FormulaC14H16OSi
Molecular Weight228.37 g/mol
Exact Mass228.10
IUPAC Name1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-one
SMILESC[Si](C)(C)C#CC(=O)C=Cc1ccccc1
InChIInChI=1S/C14H16OSi/c1-16(2,3)12-11-14(15)10-9-13-7-5-4-6-8-13/h4-10H,1-3H3
InChIKeyVCISWHKPHHXHPY-UHFFFAOYSA-N
XLogP3.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.37
LogP ≤ 53.15
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-1-phenylhex-1-en-4-yn-3-one
CID 10103580
trimethyl-[(E,3Z)-5-phenyl-3-[phenyl(trimethylsilyl)methylidene]pent-4-en-1-ynyl]silane
CID 135024062
(Z)-3-phenylprop-2-enoic acid
CID 5372954
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
3-phenylprop-2-enoic acid;trimethylsilane
CID 175438890
(E)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhex-1-en-4-yn-3-one
CID 10387661
[(E)-3,4-diphenylbut-3-en-1-ynyl]-trimethylsilane
CID 135024613
azane;3-phenylprop-2-enoic acid
CID 66894546
3-phenylprop-2-enoic acid;hydrofluoride
CID 159150390
3-phenylprop-2-enoic acid;hydrobromide
CID 172826551
azane;1,5-diphenylpenta-1,4-dien-3-one
CID 172776077

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-one?
The IUPAC name of 1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-one (CID 71332412) is 1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-one.
What is the SMILES notation for 1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-one?
The canonical SMILES for 1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-one is C[Si](C)(C)C#CC(=O)C=Cc1ccccc1.
What is the InChIKey of 1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-one?
The InChIKey is VCISWHKPHHXHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16OSi/c1-16(2,3)12-11-14(15)10-9-13-7-5-4-6-8-13/h4-10H,1-3H3.
What are the key properties of 1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-one?
1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-one has a molecular weight of 228.37 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-one is sourced from PubChem (CID 71332412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).