dimethyl-(2-phenylethynyl)-(2-phenyl-3-propylhepta-1,3-dienyl)silane

C26H32Si — CID 71442006

IUPACdimethyl-(2-phenylethynyl)-(2-phenyl-3-propylhepta-1,3-dienyl)silane
SMILESCCCC=C(CCC)C(=C[Si](C)(C)C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H32Si/c1-5-7-17-24(14-6-2)26(25-18-12-9-13-19-25)22-27(3,4)21-20-23-15-10-8-11-16-23/h8-13,15-19,22H,5-7,14H2,1-4H3
InChIKeyOBYBTZHAKHBYFG-UHFFFAOYSA-N
MW372.63 g/mol
LogP7.44
Rot. Bonds7

About dimethyl-(2-phenylethynyl)-(2-phenyl-3-propylhepta-1,3-dienyl)silane

dimethyl-(2-phenylethynyl)-(2-phenyl-3-propylhepta-1,3-dienyl)silane (PubChem CID 71442006) has the molecular formula C26H32Si and a molecular weight of 372.63 g/mol. Its IUPAC name is dimethyl-(2-phenylethynyl)-(2-phenyl-3-propylhepta-1,3-dienyl)silane.

Molecular Properties

Compound Namedimethyl-(2-phenylethynyl)-(2-phenyl-3-propylhepta-1,3-dienyl)silane
PubChem CID71442006
Molecular FormulaC26H32Si
Molecular Weight372.63 g/mol
Exact Mass372.23
IUPAC Namedimethyl-(2-phenylethynyl)-(2-phenyl-3-propylhepta-1,3-dienyl)silane
SMILESCCCC=C(CCC)C(=C[Si](C)(C)C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H32Si/c1-5-7-17-24(14-6-2)26(25-18-12-9-13-19-25)22-27(3,4)21-20-23-15-10-8-11-16-23/h8-13,15-19,22H,5-7,14H2,1-4H3
InChIKeyOBYBTZHAKHBYFG-UHFFFAOYSA-N
XLogP7.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.63
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3E,6E)-1,3-diphenyl-6-propyldeca-3,6-dien-1-yn-5-one
CID 71769457
(E)-4-[dimethyl-[2-(4-propylphenyl)ethynyl]silyl]-1,1-diphenyl-3-(4-propylphenyl)but-3-en-2-imine
CID 102310560
[(Z)-3-butyl-4-(2-phenylethynyl)oct-3-en-1-ynyl]benzene
CID 10925864
2-phenylhex-2-enal
CID 3023641
trimethyl-[(Z)-1-phenylnon-4-en-1-yn-4-yl]silane
CID 101354562
(E)-6-[dimethyl(2-phenylethynyl)silyl]hex-5-enenitrile
CID 155931551
[(Z)-4-methyl-1-phenyloct-3-en-1-yn-3-yl]benzene
CID 102375518
2-(1,2-diphenylethenyl)hex-1-enyl-trimethylsilane
CID 10437633
[(Z,3Z)-3-[[4-[4-[(Z)-2-[(Z)-2-[dimethyl(2-phenylethynyl)silyl]-2-iodo-1-phenylethenyl]-1-iodopent-1-enyl]phenyl]phenyl]-iodomethylidene]-1-iodo-2-phenylhex-1-enyl]-dimethyl-(2-phenylethynyl)silane
CID 139249972
(Z)-1-phenylpent-1-en-1-amine
CID 22065568
(Z)-2-phenylhex-2-enenitrile
CID 5463415
trimethyl-[(E)-3-phenyloct-3-en-1-ynyl]silane
CID 71663368

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-phenylethynyl)-(2-phenyl-3-propylhepta-1,3-dienyl)silane?
The IUPAC name of dimethyl-(2-phenylethynyl)-(2-phenyl-3-propylhepta-1,3-dienyl)silane (CID 71442006) is dimethyl-(2-phenylethynyl)-(2-phenyl-3-propylhepta-1,3-dienyl)silane.
What is the SMILES notation for dimethyl-(2-phenylethynyl)-(2-phenyl-3-propylhepta-1,3-dienyl)silane?
The canonical SMILES for dimethyl-(2-phenylethynyl)-(2-phenyl-3-propylhepta-1,3-dienyl)silane is CCCC=C(CCC)C(=C[Si](C)(C)C#Cc1ccccc1)c1ccccc1.
What is the InChIKey of dimethyl-(2-phenylethynyl)-(2-phenyl-3-propylhepta-1,3-dienyl)silane?
The InChIKey is OBYBTZHAKHBYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32Si/c1-5-7-17-24(14-6-2)26(25-18-12-9-13-19-25)22-27(3,4)21-20-23-15-10-8-11-16-23/h8-13,15-19,22H,5-7,14H2,1-4H3.
What are the key properties of dimethyl-(2-phenylethynyl)-(2-phenyl-3-propylhepta-1,3-dienyl)silane?
dimethyl-(2-phenylethynyl)-(2-phenyl-3-propylhepta-1,3-dienyl)silane has a molecular weight of 372.63 g/mol, XLogP of 7.44, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-phenylethynyl)-(2-phenyl-3-propylhepta-1,3-dienyl)silane is sourced from PubChem (CID 71442006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).