dimethyl-(1-phenylethyl)-(1-phenylsulfanylcyclopropyl)silane

C19H24SSi — CID 10881527

IUPACdimethyl-(1-phenylethyl)-(1-phenylsulfanylcyclopropyl)silane
SMILESCC(c1ccccc1)[Si](C)(C)C1(Sc2ccccc2)CC1
InChIInChI=1S/C19H24SSi/c1-16(17-10-6-4-7-11-17)21(2,3)19(14-15-19)20-18-12-8-5-9-13-18/h4-13,16H,14-15H2,1-3H3
InChIKeyBCTDZFWVODFDCE-UHFFFAOYSA-N
MW312.55 g/mol
LogP5.90
Rot. Bonds5

About dimethyl-(1-phenylethyl)-(1-phenylsulfanylcyclopropyl)silane

dimethyl-(1-phenylethyl)-(1-phenylsulfanylcyclopropyl)silane (PubChem CID 10881527) has the molecular formula C19H24SSi and a molecular weight of 312.55 g/mol. Its IUPAC name is dimethyl-(1-phenylethyl)-(1-phenylsulfanylcyclopropyl)silane.

Molecular Properties

Compound Namedimethyl-(1-phenylethyl)-(1-phenylsulfanylcyclopropyl)silane
PubChem CID10881527
Molecular FormulaC19H24SSi
Molecular Weight312.55 g/mol
Exact Mass312.14
IUPAC Namedimethyl-(1-phenylethyl)-(1-phenylsulfanylcyclopropyl)silane
SMILESCC(c1ccccc1)[Si](C)(C)C1(Sc2ccccc2)CC1
InChIInChI=1S/C19H24SSi/c1-16(17-10-6-4-7-11-17)21(2,3)19(14-15-19)20-18-12-8-5-9-13-18/h4-13,16H,14-15H2,1-3H3
InChIKeyBCTDZFWVODFDCE-UHFFFAOYSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.55
LogP ≤ 55.90
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 dimethyl-(1-phenylethyl)-(1-phenylsulfanylcyclopropyl)silane?
The IUPAC name of dimethyl-(1-phenylethyl)-(1-phenylsulfanylcyclopropyl)silane (CID 10881527) is dimethyl-(1-phenylethyl)-(1-phenylsulfanylcyclopropyl)silane.
What is the SMILES notation for dimethyl-(1-phenylethyl)-(1-phenylsulfanylcyclopropyl)silane?
The canonical SMILES for dimethyl-(1-phenylethyl)-(1-phenylsulfanylcyclopropyl)silane is CC(c1ccccc1)[Si](C)(C)C1(Sc2ccccc2)CC1.
What is the InChIKey of dimethyl-(1-phenylethyl)-(1-phenylsulfanylcyclopropyl)silane?
The InChIKey is BCTDZFWVODFDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24SSi/c1-16(17-10-6-4-7-11-17)21(2,3)19(14-15-19)20-18-12-8-5-9-13-18/h4-13,16H,14-15H2,1-3H3.
What are the key properties of dimethyl-(1-phenylethyl)-(1-phenylsulfanylcyclopropyl)silane?
dimethyl-(1-phenylethyl)-(1-phenylsulfanylcyclopropyl)silane has a molecular weight of 312.55 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(1-phenylethyl)-(1-phenylsulfanylcyclopropyl)silane is sourced from PubChem (CID 10881527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).