dimethyl-(1-phenylbut-3-enyl)-(1-phenylsulfanylcyclopropyl)silane

C21H26SSi — CID 15262975

IUPACdimethyl-(1-phenylbut-3-enyl)-(1-phenylsulfanylcyclopropyl)silane
SMILESC=CCC(c1ccccc1)[Si](C)(C)C1(Sc2ccccc2)CC1
InChIInChI=1S/C21H26SSi/c1-4-11-20(18-12-7-5-8-13-18)23(2,3)21(16-17-21)22-19-14-9-6-10-15-19/h4-10,12-15,20H,1,11,16-17H2,2-3H3
InChIKeyPSCKMWCVKALDKQ-UHFFFAOYSA-N
MW338.59 g/mol
LogP6.46
Rot. Bonds7

About dimethyl-(1-phenylbut-3-enyl)-(1-phenylsulfanylcyclopropyl)silane

dimethyl-(1-phenylbut-3-enyl)-(1-phenylsulfanylcyclopropyl)silane (PubChem CID 15262975) has the molecular formula C21H26SSi and a molecular weight of 338.59 g/mol. Its IUPAC name is dimethyl-(1-phenylbut-3-enyl)-(1-phenylsulfanylcyclopropyl)silane.

Molecular Properties

Compound Namedimethyl-(1-phenylbut-3-enyl)-(1-phenylsulfanylcyclopropyl)silane
PubChem CID15262975
Molecular FormulaC21H26SSi
Molecular Weight338.59 g/mol
Exact Mass338.15
IUPAC Namedimethyl-(1-phenylbut-3-enyl)-(1-phenylsulfanylcyclopropyl)silane
SMILESC=CCC(c1ccccc1)[Si](C)(C)C1(Sc2ccccc2)CC1
InChIInChI=1S/C21H26SSi/c1-4-11-20(18-12-7-5-8-13-18)23(2,3)21(16-17-21)22-19-14-9-6-10-15-19/h4-10,12-15,20H,1,11,16-17H2,2-3H3
InChIKeyPSCKMWCVKALDKQ-UHFFFAOYSA-N
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.59
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Phenyl 3-phenylpropyl sulphide
CID 141544
Alpha,alpha-dimethylbenzyl phenyl sulfide
CID 576894
Benzene, 1,1'-[2-methyl-2-(phenylthio)cyclopropylidene]bis-
CID 609923
Benzene, 1,1'-[(1-phenylethylidene)bis(thio)]bis-
CID 4296225
Ethane, 1-phenyl-1-(phenylthio)-
CID 570103
1-Phenylsulfanyl-vinyl-benzene
CID 3594215
1-Methyl-4-(1-phenylethylsulfanyl)benzene
CID 13049765
1-Methyl-4-(2-phenylsulfanylpropan-2-yl)benzene
CID 59356782
[(Z)-4-phenylsulfanyl-4-[4-(trifluoromethyl)phenyl]but-3-en-1-ynyl]-tri(propan-2-yl)silane
CID 101546556
Dimethyl-phenyl-[phenyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]silane
CID 155935087
trimethyl-[4-[(1R)-2,2,2-trifluoro-1-(3-methylsulfanylphenyl)ethyl]phenyl]silane
CID 162406462
[(E)-2-phenylsulfanyl-but-1-enyl]-benzene
CID 5808548

Frequently Asked Questions

What is the IUPAC name of dimethyl-(1-phenylbut-3-enyl)-(1-phenylsulfanylcyclopropyl)silane?
The IUPAC name of dimethyl-(1-phenylbut-3-enyl)-(1-phenylsulfanylcyclopropyl)silane (CID 15262975) is dimethyl-(1-phenylbut-3-enyl)-(1-phenylsulfanylcyclopropyl)silane.
What is the SMILES notation for dimethyl-(1-phenylbut-3-enyl)-(1-phenylsulfanylcyclopropyl)silane?
The canonical SMILES for dimethyl-(1-phenylbut-3-enyl)-(1-phenylsulfanylcyclopropyl)silane is C=CCC(c1ccccc1)[Si](C)(C)C1(Sc2ccccc2)CC1.
What is the InChIKey of dimethyl-(1-phenylbut-3-enyl)-(1-phenylsulfanylcyclopropyl)silane?
The InChIKey is PSCKMWCVKALDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26SSi/c1-4-11-20(18-12-7-5-8-13-18)23(2,3)21(16-17-21)22-19-14-9-6-10-15-19/h4-10,12-15,20H,1,11,16-17H2,2-3H3.
What are the key properties of dimethyl-(1-phenylbut-3-enyl)-(1-phenylsulfanylcyclopropyl)silane?
dimethyl-(1-phenylbut-3-enyl)-(1-phenylsulfanylcyclopropyl)silane has a molecular weight of 338.59 g/mol, XLogP of 6.46, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(1-phenylbut-3-enyl)-(1-phenylsulfanylcyclopropyl)silane is sourced from PubChem (CID 15262975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).