benzyl-dihexyl-prop-2-enylsilane

C22H38Si — CID 175535651

IUPACbenzyl-dihexyl-prop-2-enylsilane
SMILESC=CC[Si](CCCCCC)(CCCCCC)Cc1ccccc1
InChIInChI=1S/C22H38Si/c1-4-7-9-14-19-23(18-6-3,20-15-10-8-5-2)21-22-16-12-11-13-17-22/h6,11-13,16-17H,3-5,7-10,14-15,18-21H2,1-2H3
InChIKeyHWKZRWGSYNUFMY-UHFFFAOYSA-N
MW330.63 g/mol
LogP7.56
Rot. Bonds14

About benzyl-dihexyl-prop-2-enylsilane

benzyl-dihexyl-prop-2-enylsilane (PubChem CID 175535651) has the molecular formula C22H38Si and a molecular weight of 330.63 g/mol. Its IUPAC name is benzyl-dihexyl-prop-2-enylsilane.

Molecular Properties

Compound Namebenzyl-dihexyl-prop-2-enylsilane
PubChem CID175535651
Molecular FormulaC22H38Si
Molecular Weight330.63 g/mol
Exact Mass330.27
IUPAC Namebenzyl-dihexyl-prop-2-enylsilane
SMILESC=CC[Si](CCCCCC)(CCCCCC)Cc1ccccc1
InChIInChI=1S/C22H38Si/c1-4-7-9-14-19-23(18-6-3,20-15-10-8-5-2)21-22-16-12-11-13-17-22/h6,11-13,16-17H,3-5,7-10,14-15,18-21H2,1-2H3
InChIKeyHWKZRWGSYNUFMY-UHFFFAOYSA-N
XLogP7.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.63
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzyl(tributyl)silane
CID 14614990
benzyl-[2-(benzyl-decyl-fluorosilyl)ethynyl]-decyl-fluorosilane
CID 139634074
dipentoxy-phenyl-prop-2-enylsilane
CID 155641379
pentane;prop-2-enylbenzene
CID 90884247
ethenylsilane;heptylbenzene
CID 174982410
hexakis(decane);ethylbenzene
CID 173398562
3-prop-2-enylnonadecylbenzene
CID 173349260
1,1'-biphenyl;hexadecane
CID 173308514
1,2-bis(ethenyl)benzene;hexylbenzene
CID 175593213
octylbenzene
CID 16607
pentadecane;pentadecylbenzene
CID 174970881
octacosylbenzene
CID 14228596

Frequently Asked Questions

What is the IUPAC name of benzyl-dihexyl-prop-2-enylsilane?
The IUPAC name of benzyl-dihexyl-prop-2-enylsilane (CID 175535651) is benzyl-dihexyl-prop-2-enylsilane.
What is the SMILES notation for benzyl-dihexyl-prop-2-enylsilane?
The canonical SMILES for benzyl-dihexyl-prop-2-enylsilane is C=CC[Si](CCCCCC)(CCCCCC)Cc1ccccc1.
What is the InChIKey of benzyl-dihexyl-prop-2-enylsilane?
The InChIKey is HWKZRWGSYNUFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38Si/c1-4-7-9-14-19-23(18-6-3,20-15-10-8-5-2)21-22-16-12-11-13-17-22/h6,11-13,16-17H,3-5,7-10,14-15,18-21H2,1-2H3.
What are the key properties of benzyl-dihexyl-prop-2-enylsilane?
benzyl-dihexyl-prop-2-enylsilane has a molecular weight of 330.63 g/mol, XLogP of 7.56, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-dihexyl-prop-2-enylsilane is sourced from PubChem (CID 175535651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).