buta-1,3-diynyl(diphenyl)silane

C16H12Si — CID 102404030

IUPACbuta-1,3-diynyl(diphenyl)silane
SMILESC#CC#C[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C16H12Si/c1-2-3-14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h1,4-13,17H
InChIKeyPBUIYCPFVMLTEN-UHFFFAOYSA-N
MW232.36 g/mol
LogP1.20
Rot. Bonds2

About buta-1,3-diynyl(diphenyl)silane

buta-1,3-diynyl(diphenyl)silane (PubChem CID 102404030) has the molecular formula C16H12Si and a molecular weight of 232.36 g/mol. Its IUPAC name is buta-1,3-diynyl(diphenyl)silane.

Molecular Properties

Compound Namebuta-1,3-diynyl(diphenyl)silane
PubChem CID102404030
Molecular FormulaC16H12Si
Molecular Weight232.36 g/mol
Exact Mass232.07
IUPAC Namebuta-1,3-diynyl(diphenyl)silane
SMILESC#CC#C[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C16H12Si/c1-2-3-14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h1,4-13,17H
InChIKeyPBUIYCPFVMLTEN-UHFFFAOYSA-N
XLogP1.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.36
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze buta-1,3-diynyl(diphenyl)silane 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-diphenylsilylprop-2-ynenitrile
CID 152514237
dichloromethyl(diphenyl)silane
CID 154393251
hepta-2,4,6-triynylbenzene
CID 53432367
1-phenylpenta-2,4-diyn-1-one
CID 592950
[amino(chloro)silyl]benzene
CID 174569946
bis[2-(3-ethynylphenyl)ethynyl]-phenylsilane
CID 71349412
(3-bromo-4,4-dimethylpent-1-yn-3-yl)-diphenylsilane
CID 173045401
bromo(diphenyl)silane
CID 102303968
(1,2-13C2)ethynylbenzene
CID 71309164
diphenylsilylphosphane
CID 123635093
ethynylbenzene;stibane
CID 175292724
dimethyl(phenyl)silane;hydrochloride
CID 172741806

Frequently Asked Questions

What is the IUPAC name of buta-1,3-diynyl(diphenyl)silane?
The IUPAC name of buta-1,3-diynyl(diphenyl)silane (CID 102404030) is buta-1,3-diynyl(diphenyl)silane.
What is the SMILES notation for buta-1,3-diynyl(diphenyl)silane?
The canonical SMILES for buta-1,3-diynyl(diphenyl)silane is C#CC#C[SiH](c1ccccc1)c1ccccc1.
What is the InChIKey of buta-1,3-diynyl(diphenyl)silane?
The InChIKey is PBUIYCPFVMLTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Si/c1-2-3-14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h1,4-13,17H.
What are the key properties of buta-1,3-diynyl(diphenyl)silane?
buta-1,3-diynyl(diphenyl)silane has a molecular weight of 232.36 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diynyl(diphenyl)silane is sourced from PubChem (CID 102404030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).