benzyl-dimethyl-(1-phenylsulfanylcyclopropyl)silane

C18H22SSi — CID 15262973

IUPACbenzyl-dimethyl-(1-phenylsulfanylcyclopropyl)silane
SMILESC[Si](C)(Cc1ccccc1)C1(Sc2ccccc2)CC1
InChIInChI=1S/C18H22SSi/c1-20(2,15-16-9-5-3-6-10-16)18(13-14-18)19-17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3
InChIKeyRKEMIAIKDZVKRT-UHFFFAOYSA-N
MW298.53 g/mol
LogP5.34
Rot. Bonds5

About benzyl-dimethyl-(1-phenylsulfanylcyclopropyl)silane

benzyl-dimethyl-(1-phenylsulfanylcyclopropyl)silane (PubChem CID 15262973) has the molecular formula C18H22SSi and a molecular weight of 298.53 g/mol. Its IUPAC name is benzyl-dimethyl-(1-phenylsulfanylcyclopropyl)silane.

Molecular Properties

Compound Namebenzyl-dimethyl-(1-phenylsulfanylcyclopropyl)silane
PubChem CID15262973
Molecular FormulaC18H22SSi
Molecular Weight298.53 g/mol
Exact Mass298.12
IUPAC Namebenzyl-dimethyl-(1-phenylsulfanylcyclopropyl)silane
SMILESC[Si](C)(Cc1ccccc1)C1(Sc2ccccc2)CC1
InChIInChI=1S/C18H22SSi/c1-20(2,15-16-9-5-3-6-10-16)18(13-14-18)19-17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3
InChIKeyRKEMIAIKDZVKRT-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.53
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl-dimethyl-(1-phenylsulfanylcyclopropyl)silane?
The IUPAC name of benzyl-dimethyl-(1-phenylsulfanylcyclopropyl)silane (CID 15262973) is benzyl-dimethyl-(1-phenylsulfanylcyclopropyl)silane.
What is the SMILES notation for benzyl-dimethyl-(1-phenylsulfanylcyclopropyl)silane?
The canonical SMILES for benzyl-dimethyl-(1-phenylsulfanylcyclopropyl)silane is C[Si](C)(Cc1ccccc1)C1(Sc2ccccc2)CC1.
What is the InChIKey of benzyl-dimethyl-(1-phenylsulfanylcyclopropyl)silane?
The InChIKey is RKEMIAIKDZVKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22SSi/c1-20(2,15-16-9-5-3-6-10-16)18(13-14-18)19-17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3.
What are the key properties of benzyl-dimethyl-(1-phenylsulfanylcyclopropyl)silane?
benzyl-dimethyl-(1-phenylsulfanylcyclopropyl)silane has a molecular weight of 298.53 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-dimethyl-(1-phenylsulfanylcyclopropyl)silane is sourced from PubChem (CID 15262973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).