ethoxy-dimethyl-[4-(4-phenylbuta-1,3-diynyl)phenyl]silane

C20H20OSi — CID 164533641

IUPACethoxy-dimethyl-[4-(4-phenylbuta-1,3-diynyl)phenyl]silane
SMILESCCO[Si](C)(C)c1ccc(C#CC#Cc2ccccc2)cc1
InChIInChI=1S/C20H20OSi/c1-4-21-22(2,3)20-16-14-19(15-17-20)13-9-8-12-18-10-6-5-7-11-18/h5-7,10-11,14-17H,4H2,1-3H3
InChIKeyIASBGNOOLMRAOR-UHFFFAOYSA-N
MW304.47 g/mol
LogP3.54
Rot. Bonds3

About ethoxy-dimethyl-[4-(4-phenylbuta-1,3-diynyl)phenyl]silane

ethoxy-dimethyl-[4-(4-phenylbuta-1,3-diynyl)phenyl]silane (PubChem CID 164533641) has the molecular formula C20H20OSi and a molecular weight of 304.47 g/mol. Its IUPAC name is ethoxy-dimethyl-[4-(4-phenylbuta-1,3-diynyl)phenyl]silane.

Molecular Properties

Compound Nameethoxy-dimethyl-[4-(4-phenylbuta-1,3-diynyl)phenyl]silane
PubChem CID164533641
Molecular FormulaC20H20OSi
Molecular Weight304.47 g/mol
Exact Mass304.13
IUPAC Nameethoxy-dimethyl-[4-(4-phenylbuta-1,3-diynyl)phenyl]silane
SMILESCCO[Si](C)(C)c1ccc(C#CC#Cc2ccccc2)cc1
InChIInChI=1S/C20H20OSi/c1-4-21-22(2,3)20-16-14-19(15-17-20)13-9-8-12-18-10-6-5-7-11-18/h5-7,10-11,14-17H,4H2,1-3H3
InChIKeyIASBGNOOLMRAOR-UHFFFAOYSA-N
XLogP3.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethoxy-dimethyl-[4-(4-phenylbuta-1,3-diynyl)phenyl]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

(4-dimethylsilylphenyl)-ethoxy-dimethylsilane
CID 175577251
12-phenyl(1,12-13C2)dodeca-1,3,5,7,9,11-hexaynylbenzene
CID 102289282
1-(4-phenylbuta-1,3-diynyl)-4-propylbenzene
CID 102100558
ethyl 4-(4-phenylbuta-1,3-diynyl)benzoate
CID 25052516
1-butoxy-4-[2-[4-(4-phenylbuta-1,3-diynyl)phenyl]ethynyl]benzene
CID 141226399
ethoxy-(ethoxy-methyl-phenylsilyl)-methyl-phenylsilane
CID 19809309
carbon monoxide;cobalt;4-phenylbuta-1,3-diynylbenzene;ruthenium
CID 11147470
nona-1,3,5,7-tetraynylbenzene
CID 102149270
[4-(4-phenylbuta-1,3-diynyl)phenyl]methanol
CID 134949933
ethoxy-iodo-methyl-phenylsilane
CID 154486985
5-[ethoxy(dimethyl)silyl]-2-benzofuran-1,3-dione
CID 23116696
trimethyl-[2-[4-(phenoxymethyl)phenyl]ethynyl]silane
CID 134093066

Frequently Asked Questions

What is the IUPAC name of ethoxy-dimethyl-[4-(4-phenylbuta-1,3-diynyl)phenyl]silane?
The IUPAC name of ethoxy-dimethyl-[4-(4-phenylbuta-1,3-diynyl)phenyl]silane (CID 164533641) is ethoxy-dimethyl-[4-(4-phenylbuta-1,3-diynyl)phenyl]silane.
What is the SMILES notation for ethoxy-dimethyl-[4-(4-phenylbuta-1,3-diynyl)phenyl]silane?
The canonical SMILES for ethoxy-dimethyl-[4-(4-phenylbuta-1,3-diynyl)phenyl]silane is CCO[Si](C)(C)c1ccc(C#CC#Cc2ccccc2)cc1.
What is the InChIKey of ethoxy-dimethyl-[4-(4-phenylbuta-1,3-diynyl)phenyl]silane?
The InChIKey is IASBGNOOLMRAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20OSi/c1-4-21-22(2,3)20-16-14-19(15-17-20)13-9-8-12-18-10-6-5-7-11-18/h5-7,10-11,14-17H,4H2,1-3H3.
What are the key properties of ethoxy-dimethyl-[4-(4-phenylbuta-1,3-diynyl)phenyl]silane?
ethoxy-dimethyl-[4-(4-phenylbuta-1,3-diynyl)phenyl]silane has a molecular weight of 304.47 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-dimethyl-[4-(4-phenylbuta-1,3-diynyl)phenyl]silane is sourced from PubChem (CID 164533641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).