2-phenyl-5-trimethylsilylpent-1-en-1-one

C14H20OSi — CID 87789844

IUPAC2-phenyl-5-trimethylsilylpent-1-en-1-one
SMILESC[Si](C)(C)CCCC(=C=O)c1ccccc1
InChIInChI=1S/C14H20OSi/c1-16(2,3)11-7-10-14(12-15)13-8-5-4-6-9-13/h4-6,8-9H,7,10-11H2,1-3H3
InChIKeyHCVGGZYPZZYFPW-UHFFFAOYSA-N
MW232.40 g/mol
LogP4.02
Rot. Bonds5

About 2-phenyl-5-trimethylsilylpent-1-en-1-one

2-phenyl-5-trimethylsilylpent-1-en-1-one (PubChem CID 87789844) has the molecular formula C14H20OSi and a molecular weight of 232.40 g/mol. Its IUPAC name is 2-phenyl-5-trimethylsilylpent-1-en-1-one.

Molecular Properties

Compound Name2-phenyl-5-trimethylsilylpent-1-en-1-one
PubChem CID87789844
Molecular FormulaC14H20OSi
Molecular Weight232.40 g/mol
Exact Mass232.13
IUPAC Name2-phenyl-5-trimethylsilylpent-1-en-1-one
SMILESC[Si](C)(C)CCCC(=C=O)c1ccccc1
InChIInChI=1S/C14H20OSi/c1-16(2,3)11-7-10-14(12-15)13-8-5-4-6-9-13/h4-6,8-9H,7,10-11H2,1-3H3
InChIKeyHCVGGZYPZZYFPW-UHFFFAOYSA-N
XLogP4.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(6-oxo-5-phenylhex-5-enyl) 5-oxo-4-phenylpent-4-enoate
CID 141137608
4-oxo-3-phenylbut-3-enoic acid
CID 141159678
N,N-dibenzyl-4-trimethylsilylbutanamide
CID 16744462
trimethyl(2-phenylpenta-2,3-dienyl)silane
CID 102425929
2-phenyl-3-(thiolan-1-ium-1-yl)prop-1-en-1-one
CID 148739854
nona-1,2-dien-3-ylbenzene
CID 11310172
1-[dimethyl(phenyl)silyl]-3-trimethylsilylpropan-1-one
CID 101379873
3-[hydroxy-(4-hydroxyphenyl)methylidene]-6-trimethylsilylhexan-2-one
CID 162175836
6-[chloro-phenyl-(3-trimethylsilylpropyl)silyl]hexan-2-one
CID 166636971
6-[phenyl(3-trimethylsilylpropyl)silyl]hexan-2-one
CID 172756436
[1-(benzenesulfonyl)-1-phenylocta-1,2-dien-3-yl]benzene
CID 86049180
4,4-bis(3-methoxyphenyl)-2-phenylbut-1-en-1-one
CID 88840532

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-trimethylsilylpent-1-en-1-one?
The IUPAC name of 2-phenyl-5-trimethylsilylpent-1-en-1-one (CID 87789844) is 2-phenyl-5-trimethylsilylpent-1-en-1-one.
What is the SMILES notation for 2-phenyl-5-trimethylsilylpent-1-en-1-one?
The canonical SMILES for 2-phenyl-5-trimethylsilylpent-1-en-1-one is C[Si](C)(C)CCCC(=C=O)c1ccccc1.
What is the InChIKey of 2-phenyl-5-trimethylsilylpent-1-en-1-one?
The InChIKey is HCVGGZYPZZYFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OSi/c1-16(2,3)11-7-10-14(12-15)13-8-5-4-6-9-13/h4-6,8-9H,7,10-11H2,1-3H3.
What are the key properties of 2-phenyl-5-trimethylsilylpent-1-en-1-one?
2-phenyl-5-trimethylsilylpent-1-en-1-one has a molecular weight of 232.40 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-trimethylsilylpent-1-en-1-one is sourced from PubChem (CID 87789844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).