dimethyl-phenyl-[(Z)-3-phenylsulfanylbut-2-enyl]silane

C18H22SSi — CID 102120921

IUPACdimethyl-phenyl-[(Z)-3-phenylsulfanylbut-2-enyl]silane
SMILESC/C(=C/C[Si](C)(C)c1ccccc1)Sc1ccccc1
InChIInChI=1S/C18H22SSi/c1-16(19-17-10-6-4-7-11-17)14-15-20(2,3)18-12-8-5-9-13-18/h4-14H,15H2,1-3H3/b16-14-
InChIKeyMZFUEXWXNOSZMI-PEZBUJJGSA-N
MW298.53 g/mol
LogP5.30
Rot. Bonds5

About dimethyl-phenyl-[(Z)-3-phenylsulfanylbut-2-enyl]silane

dimethyl-phenyl-[(Z)-3-phenylsulfanylbut-2-enyl]silane (PubChem CID 102120921) has the molecular formula C18H22SSi and a molecular weight of 298.53 g/mol. Its IUPAC name is dimethyl-phenyl-[(Z)-3-phenylsulfanylbut-2-enyl]silane.

Molecular Properties

Compound Namedimethyl-phenyl-[(Z)-3-phenylsulfanylbut-2-enyl]silane
PubChem CID102120921
Molecular FormulaC18H22SSi
Molecular Weight298.53 g/mol
Exact Mass298.12
IUPAC Namedimethyl-phenyl-[(Z)-3-phenylsulfanylbut-2-enyl]silane
SMILESC/C(=C/C[Si](C)(C)c1ccccc1)Sc1ccccc1
InChIInChI=1S/C18H22SSi/c1-16(19-17-10-6-4-7-11-17)14-15-20(2,3)18-12-8-5-9-13-18/h4-14H,15H2,1-3H3/b16-14-
InChIKeyMZFUEXWXNOSZMI-PEZBUJJGSA-N
XLogP5.30
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 ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-hept-2-en-2-yl]sulfanylbenzene
CID 101384616
(E)-4-[dimethyl(phenyl)silyl]but-2-en-1-ol
CID 10058832
trimethyl-[2-(3-phenylsulfanylbut-2-enyl)oct-1-enyl]silane
CID 71415265
[(2Z)-3-but-3-enyl-7-methylocta-2,6-dienyl]-dimethyl-phenylsilane
CID 101153076
dimethyl-phenyl-[(E)-3-phenylprop-2-enyl]silane
CID 11658889
dimethyl-phenyl-[(Z)-3-phenylprop-2-enyl]silane
CID 102586986
2-[[dimethyl(phenyl)silyl]methyl]-3-methylbut-2-enal
CID 10955439
(E)-3-phenylsulfanylbut-2-enenitrile
CID 12582531
2-[dimethyl(phenyl)silyl]ethyl-dimethyl-phenylsilane
CID 585640
1,1-difluoroprop-1-en-2-ylsulfanylbenzene
CID 11194757
[(Z)-hept-2-enyl]-dimethyl-phenylsilane
CID 15915975
[(2Z)-hepta-2,6-dienyl]-dimethyl-phenylsilane
CID 12992255

Frequently Asked Questions

What is the IUPAC name of dimethyl-phenyl-[(Z)-3-phenylsulfanylbut-2-enyl]silane?
The IUPAC name of dimethyl-phenyl-[(Z)-3-phenylsulfanylbut-2-enyl]silane (CID 102120921) is dimethyl-phenyl-[(Z)-3-phenylsulfanylbut-2-enyl]silane.
What is the SMILES notation for dimethyl-phenyl-[(Z)-3-phenylsulfanylbut-2-enyl]silane?
The canonical SMILES for dimethyl-phenyl-[(Z)-3-phenylsulfanylbut-2-enyl]silane is C/C(=C/C[Si](C)(C)c1ccccc1)Sc1ccccc1.
What is the InChIKey of dimethyl-phenyl-[(Z)-3-phenylsulfanylbut-2-enyl]silane?
The InChIKey is MZFUEXWXNOSZMI-PEZBUJJGSA-N. The full InChI is InChI=1S/C18H22SSi/c1-16(19-17-10-6-4-7-11-17)14-15-20(2,3)18-12-8-5-9-13-18/h4-14H,15H2,1-3H3/b16-14-.
What are the key properties of dimethyl-phenyl-[(Z)-3-phenylsulfanylbut-2-enyl]silane?
dimethyl-phenyl-[(Z)-3-phenylsulfanylbut-2-enyl]silane has a molecular weight of 298.53 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-phenyl-[(Z)-3-phenylsulfanylbut-2-enyl]silane is sourced from PubChem (CID 102120921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).