trimethyl-[(Z)-1-(1-phenylsulfanylethyl)-4-trimethylsilylpent-3-enoxy]silane

C19H34OSSi2 — CID 10970588

IUPACtrimethyl-[(Z)-1-(1-phenylsulfanylethyl)-4-trimethylsilylpent-3-enoxy]silane
SMILESC/C(=C/CC(O[Si](C)(C)C)C(C)Sc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C19H34OSSi2/c1-16(22(3,4)5)14-15-19(20-23(6,7)8)17(2)21-18-12-10-9-11-13-18/h9-14,17,19H,15H2,1-8H3/b16-14-
InChIKeyXDEZZCDGKGJCSL-PEZBUJJGSA-N
MW366.72 g/mol
LogP6.60
Rot. Bonds8

About trimethyl-[(Z)-1-(1-phenylsulfanylethyl)-4-trimethylsilylpent-3-enoxy]silane

trimethyl-[(Z)-1-(1-phenylsulfanylethyl)-4-trimethylsilylpent-3-enoxy]silane (PubChem CID 10970588) has the molecular formula C19H34OSSi2 and a molecular weight of 366.72 g/mol. Its IUPAC name is trimethyl-[(Z)-1-(1-phenylsulfanylethyl)-4-trimethylsilylpent-3-enoxy]silane.

Molecular Properties

Compound Nametrimethyl-[(Z)-1-(1-phenylsulfanylethyl)-4-trimethylsilylpent-3-enoxy]silane
PubChem CID10970588
Molecular FormulaC19H34OSSi2
Molecular Weight366.72 g/mol
Exact Mass366.19
IUPAC Nametrimethyl-[(Z)-1-(1-phenylsulfanylethyl)-4-trimethylsilylpent-3-enoxy]silane
SMILESC/C(=C/CC(O[Si](C)(C)C)C(C)Sc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C19H34OSSi2/c1-16(22(3,4)5)14-15-19(20-23(6,7)8)17(2)21-18-12-10-9-11-13-18/h9-14,17,19H,15H2,1-8H3/b16-14-
InChIKeyXDEZZCDGKGJCSL-PEZBUJJGSA-N
XLogP6.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.72
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Silane, trimethyl[2-(phenylthio)ethoxy]-
CID 553448
Trimethyl-(2-(phenylthio)methoxyethyl)silane
CID 553319
Trimethylsilyloxymethyl phenyl sulfide
CID 12572068
Triethoxy(2-phenylsulfanylethyl)silane
CID 13932527
Trimethoxy(3-phenylsulfanylpropyl)silane
CID 21413534
3-(t-Butyldi-methylsiloxy)-1-butenyl phenyl sulfide
CID 67779864
(r)-3-(t-Butyldimethylsilanyloxy)butyl phenylsulfide
CID 101617074
Triethoxy(3-phenylsulfanylpropyl)silane
CID 151300368
(4-(4-Fluorophenylthio)but-1-en-2-yloxy)trimethylsilane
CID 123923700
(2-Fluoro-2-phenylsulfanylethoxy)-trimethylsilane
CID 151615759
6-(4-fluorophenyl)sulfanyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-thieno[3,2-f][1,3,5,2,4]trioxadisilocine
CID 153333206
(1-Fluoro-2-phenylsulfanylethoxy)-trimethylsilane
CID 164806355

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(Z)-1-(1-phenylsulfanylethyl)-4-trimethylsilylpent-3-enoxy]silane?
The IUPAC name of trimethyl-[(Z)-1-(1-phenylsulfanylethyl)-4-trimethylsilylpent-3-enoxy]silane (CID 10970588) is trimethyl-[(Z)-1-(1-phenylsulfanylethyl)-4-trimethylsilylpent-3-enoxy]silane.
What is the SMILES notation for trimethyl-[(Z)-1-(1-phenylsulfanylethyl)-4-trimethylsilylpent-3-enoxy]silane?
The canonical SMILES for trimethyl-[(Z)-1-(1-phenylsulfanylethyl)-4-trimethylsilylpent-3-enoxy]silane is C/C(=C/CC(O[Si](C)(C)C)C(C)Sc1ccccc1)[Si](C)(C)C.
What is the InChIKey of trimethyl-[(Z)-1-(1-phenylsulfanylethyl)-4-trimethylsilylpent-3-enoxy]silane?
The InChIKey is XDEZZCDGKGJCSL-PEZBUJJGSA-N. The full InChI is InChI=1S/C19H34OSSi2/c1-16(22(3,4)5)14-15-19(20-23(6,7)8)17(2)21-18-12-10-9-11-13-18/h9-14,17,19H,15H2,1-8H3/b16-14-.
What are the key properties of trimethyl-[(Z)-1-(1-phenylsulfanylethyl)-4-trimethylsilylpent-3-enoxy]silane?
trimethyl-[(Z)-1-(1-phenylsulfanylethyl)-4-trimethylsilylpent-3-enoxy]silane has a molecular weight of 366.72 g/mol, XLogP of 6.60, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(Z)-1-(1-phenylsulfanylethyl)-4-trimethylsilylpent-3-enoxy]silane is sourced from PubChem (CID 10970588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).