benzyl(hexadecyl)silane

C23H42Si — CID 3402615

IUPACbenzyl(hexadecyl)silane
SMILESCCCCCCCCCCCCCCCC[SiH2]Cc1ccccc1
InChIInChI=1S/C23H42Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-24-22-23-19-16-15-17-20-23/h15-17,19-20H,2-14,18,21-22,24H2,1H3
InChIKeyHVAGEPWPBYFOEC-UHFFFAOYSA-N
MW346.67 g/mol
LogP7.26
Rot. Bonds17

About benzyl(hexadecyl)silane

benzyl(hexadecyl)silane (PubChem CID 3402615) has the molecular formula C23H42Si and a molecular weight of 346.67 g/mol. Its IUPAC name is benzyl(hexadecyl)silane.

Molecular Properties

Compound Namebenzyl(hexadecyl)silane
PubChem CID3402615
Molecular FormulaC23H42Si
Molecular Weight346.67 g/mol
Exact Mass346.31
IUPAC Namebenzyl(hexadecyl)silane
SMILESCCCCCCCCCCCCCCCC[SiH2]Cc1ccccc1
InChIInChI=1S/C23H42Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-24-22-23-19-16-15-17-20-23/h15-17,19-20H,2-14,18,21-22,24H2,1H3
InChIKeyHVAGEPWPBYFOEC-UHFFFAOYSA-N
XLogP7.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.67
LogP ≤ 57.26
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'}

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Frequently Asked Questions

What is the IUPAC name of benzyl(hexadecyl)silane?
The IUPAC name of benzyl(hexadecyl)silane (CID 3402615) is benzyl(hexadecyl)silane.
What is the SMILES notation for benzyl(hexadecyl)silane?
The canonical SMILES for benzyl(hexadecyl)silane is CCCCCCCCCCCCCCCC[SiH2]Cc1ccccc1.
What is the InChIKey of benzyl(hexadecyl)silane?
The InChIKey is HVAGEPWPBYFOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-24-22-23-19-16-15-17-20-23/h15-17,19-20H,2-14,18,21-22,24H2,1H3.
What are the key properties of benzyl(hexadecyl)silane?
benzyl(hexadecyl)silane has a molecular weight of 346.67 g/mol, XLogP of 7.26, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(hexadecyl)silane is sourced from PubChem (CID 3402615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).