silyl 5-phenyl-3-(2-phenylethynyl)pent-4-ynoate

C19H16O2Si — CID 173217164

IUPACsilyl 5-phenyl-3-(2-phenylethynyl)pent-4-ynoate
SMILESO=C(CC(C#Cc1ccccc1)C#Cc1ccccc1)O[SiH3]
InChIInChI=1S/C19H16O2Si/c20-19(21-22)15-18(13-11-16-7-3-1-4-8-16)14-12-17-9-5-2-6-10-17/h1-10,18H,15H2,22H3
InChIKeyBFECVSBDGVIPIT-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.92
Rot. Bonds2

About silyl 5-phenyl-3-(2-phenylethynyl)pent-4-ynoate

silyl 5-phenyl-3-(2-phenylethynyl)pent-4-ynoate (PubChem CID 173217164) has the molecular formula C19H16O2Si and a molecular weight of 304.42 g/mol. Its IUPAC name is silyl 5-phenyl-3-(2-phenylethynyl)pent-4-ynoate.

Molecular Properties

Compound Namesilyl 5-phenyl-3-(2-phenylethynyl)pent-4-ynoate
PubChem CID173217164
Molecular FormulaC19H16O2Si
Molecular Weight304.42 g/mol
Exact Mass304.09
IUPAC Namesilyl 5-phenyl-3-(2-phenylethynyl)pent-4-ynoate
SMILESO=C(CC(C#Cc1ccccc1)C#Cc1ccccc1)O[SiH3]
InChIInChI=1S/C19H16O2Si/c20-19(21-22)15-18(13-11-16-7-3-1-4-8-16)14-12-17-9-5-2-6-10-17/h1-10,18H,15H2,22H3
InChIKeyBFECVSBDGVIPIT-UHFFFAOYSA-N
XLogP1.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze silyl 5-phenyl-3-(2-phenylethynyl)pent-4-ynoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-5-phenylpent-4-ynoic acid
CID 22602696
4-phenylbut-3-yn-2-yl 2-chloroacetate
CID 11322025
(4S)-4-methyl-6-phenylhex-5-yn-2-one
CID 138979864
(4S)-4-hydroxy-6-phenylhex-5-yn-2-one
CID 130635679
methyl (4S)-4-hydroxy-6-phenylhex-5-ynoate
CID 15659536
(3R)-3-methyl-5-phenylpent-4-yn-2-one
CID 158222149
ethyl (2S,3R)-2,3-dihydroxy-5-phenylpent-4-ynoate
CID 23248824
(4R)-1,1-difluoro-4,6-diphenylhex-5-yn-2-one
CID 134949108
3-(1,5-diphenylpenta-1,4-diyn-3-yl)pentane-2,4-dione
CID 134843042
methyl 6-hydroxy-8-phenyloct-7-ynoate
CID 170782800
1-phenylhex-1-yn-3-yl acetate
CID 3718718
N-methyl-3,5-diphenylpent-4-ynamide
CID 135041577

Frequently Asked Questions

What is the IUPAC name of silyl 5-phenyl-3-(2-phenylethynyl)pent-4-ynoate?
The IUPAC name of silyl 5-phenyl-3-(2-phenylethynyl)pent-4-ynoate (CID 173217164) is silyl 5-phenyl-3-(2-phenylethynyl)pent-4-ynoate.
What is the SMILES notation for silyl 5-phenyl-3-(2-phenylethynyl)pent-4-ynoate?
The canonical SMILES for silyl 5-phenyl-3-(2-phenylethynyl)pent-4-ynoate is O=C(CC(C#Cc1ccccc1)C#Cc1ccccc1)O[SiH3].
What is the InChIKey of silyl 5-phenyl-3-(2-phenylethynyl)pent-4-ynoate?
The InChIKey is BFECVSBDGVIPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2Si/c20-19(21-22)15-18(13-11-16-7-3-1-4-8-16)14-12-17-9-5-2-6-10-17/h1-10,18H,15H2,22H3.
What are the key properties of silyl 5-phenyl-3-(2-phenylethynyl)pent-4-ynoate?
silyl 5-phenyl-3-(2-phenylethynyl)pent-4-ynoate has a molecular weight of 304.42 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for silyl 5-phenyl-3-(2-phenylethynyl)pent-4-ynoate is sourced from PubChem (CID 173217164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).