trimethyl-[(2-phenylsulfanylcyclohex-3-en-1-yl)methoxy]silane

C16H24OSSi — CID 11087634

IUPACtrimethyl-[(2-phenylsulfanylcyclohex-3-en-1-yl)methoxy]silane
SMILESC[Si](C)(C)OCC1CCC=CC1Sc1ccccc1
InChIInChI=1S/C16H24OSSi/c1-19(2,3)17-13-14-9-7-8-12-16(14)18-15-10-5-4-6-11-15/h4-6,8,10-12,14,16H,7,9,13H2,1-3H3
InChIKeyGFNZKGBBUGFEDO-UHFFFAOYSA-N
MW292.52 g/mol
LogP4.97
Rot. Bonds5

About trimethyl-[(2-phenylsulfanylcyclohex-3-en-1-yl)methoxy]silane

trimethyl-[(2-phenylsulfanylcyclohex-3-en-1-yl)methoxy]silane (PubChem CID 11087634) has the molecular formula C16H24OSSi and a molecular weight of 292.52 g/mol. Its IUPAC name is trimethyl-[(2-phenylsulfanylcyclohex-3-en-1-yl)methoxy]silane.

Molecular Properties

Compound Nametrimethyl-[(2-phenylsulfanylcyclohex-3-en-1-yl)methoxy]silane
PubChem CID11087634
Molecular FormulaC16H24OSSi
Molecular Weight292.52 g/mol
Exact Mass292.13
IUPAC Nametrimethyl-[(2-phenylsulfanylcyclohex-3-en-1-yl)methoxy]silane
SMILESC[Si](C)(C)OCC1CCC=CC1Sc1ccccc1
InChIInChI=1S/C16H24OSSi/c1-19(2,3)17-13-14-9-7-8-12-16(14)18-15-10-5-4-6-11-15/h4-6,8,10-12,14,16H,7,9,13H2,1-3H3
InChIKeyGFNZKGBBUGFEDO-UHFFFAOYSA-N
XLogP4.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.52
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Silane, trimethyl[2-(phenylthio)ethoxy]-
CID 553448
4-Methyl-2-(phenylthio)tetrahydro-2H-pyran
CID 361775
Tert-butyl-(4-methyl-5-pentylsulfanylpentoxy)-diphenylsilane
CID 168266633
(3S)-4-{[Tert-butyl(dimethyl)silyl]oxy}-3-methylbutyl phenyl sulfone
CID 11782846
Triethoxy(2-phenylsulfanylethyl)silane
CID 13932527
3-(t-Butyldi-methylsiloxy)-1-butenyl phenyl sulfide
CID 67779864
(r)-3-(t-Butyldimethylsilanyloxy)butyl phenylsulfide
CID 101617074
Triethoxy(3-phenylsulfanylpropyl)silane
CID 151300368
(2-Fluoro-2-phenylsulfanylethoxy)-trimethylsilane
CID 151615759
(1-Fluoro-2-phenylsulfanylethoxy)-trimethylsilane
CID 164806355
tert-butyl-dimethyl-[(E)-4-phenylsulfanylbut-3-enoxy]silane
CID 10637592
trimethyl-[(Z)-4-methyl-1-phenylsulfanylpent-1-enoxy]silane
CID 10945857

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2-phenylsulfanylcyclohex-3-en-1-yl)methoxy]silane?
The IUPAC name of trimethyl-[(2-phenylsulfanylcyclohex-3-en-1-yl)methoxy]silane (CID 11087634) is trimethyl-[(2-phenylsulfanylcyclohex-3-en-1-yl)methoxy]silane.
What is the SMILES notation for trimethyl-[(2-phenylsulfanylcyclohex-3-en-1-yl)methoxy]silane?
The canonical SMILES for trimethyl-[(2-phenylsulfanylcyclohex-3-en-1-yl)methoxy]silane is C[Si](C)(C)OCC1CCC=CC1Sc1ccccc1.
What is the InChIKey of trimethyl-[(2-phenylsulfanylcyclohex-3-en-1-yl)methoxy]silane?
The InChIKey is GFNZKGBBUGFEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24OSSi/c1-19(2,3)17-13-14-9-7-8-12-16(14)18-15-10-5-4-6-11-15/h4-6,8,10-12,14,16H,7,9,13H2,1-3H3.
What are the key properties of trimethyl-[(2-phenylsulfanylcyclohex-3-en-1-yl)methoxy]silane?
trimethyl-[(2-phenylsulfanylcyclohex-3-en-1-yl)methoxy]silane has a molecular weight of 292.52 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2-phenylsulfanylcyclohex-3-en-1-yl)methoxy]silane is sourced from PubChem (CID 11087634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).