trimethyl-[2-(3-phenylsulfanylbut-2-enyl)oct-1-enyl]silane

C21H34SSi — CID 71415265

IUPACtrimethyl-[2-(3-phenylsulfanylbut-2-enyl)oct-1-enyl]silane
SMILESCCCCCCC(=C[Si](C)(C)C)CC=C(C)Sc1ccccc1
InChIInChI=1S/C21H34SSi/c1-6-7-8-10-13-20(18-23(3,4)5)17-16-19(2)22-21-14-11-9-12-15-21/h9,11-12,14-16,18H,6-8,10,13,17H2,1-5H3
InChIKeyRWWGERCSUJWZIN-UHFFFAOYSA-N
MW346.66 g/mol
LogP7.85
Rot. Bonds10

About trimethyl-[2-(3-phenylsulfanylbut-2-enyl)oct-1-enyl]silane

trimethyl-[2-(3-phenylsulfanylbut-2-enyl)oct-1-enyl]silane (PubChem CID 71415265) has the molecular formula C21H34SSi and a molecular weight of 346.66 g/mol. Its IUPAC name is trimethyl-[2-(3-phenylsulfanylbut-2-enyl)oct-1-enyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-(3-phenylsulfanylbut-2-enyl)oct-1-enyl]silane
PubChem CID71415265
Molecular FormulaC21H34SSi
Molecular Weight346.66 g/mol
Exact Mass346.22
IUPAC Nametrimethyl-[2-(3-phenylsulfanylbut-2-enyl)oct-1-enyl]silane
SMILESCCCCCCC(=C[Si](C)(C)C)CC=C(C)Sc1ccccc1
InChIInChI=1S/C21H34SSi/c1-6-7-8-10-13-20(18-23(3,4)5)17-16-19(2)22-21-14-11-9-12-15-21/h9,11-12,14-16,18H,6-8,10,13,17H2,1-5H3
InChIKeyRWWGERCSUJWZIN-UHFFFAOYSA-N
XLogP7.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.66
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-hept-2-en-2-yl]sulfanylbenzene
CID 101384616
[(E)-tridec-6-en-6-yl]sulfanylbenzene
CID 102371655
[(Z)-nonadec-9-en-9-yl]sulfanylbenzene
CID 100973714
[(E)-2-butyloct-1-enyl]-trimethylsilane
CID 10037319
dimethyl-phenyl-[(Z)-3-phenylsulfanylbut-2-enyl]silane
CID 102120921
(E)-3-phenylsulfanyldec-2-enal
CID 15529409
1-chlorooct-1-enylsulfanylbenzene
CID 73098028
[(Z)-1-phenylsulfanylundec-1-enyl]benzene
CID 134932780
[(E)-non-4-en-4-yl]sulfanylbenzene
CID 177448686
1-chloro-4-[(Z)-1-phenylsulfanyldec-1-en-2-yl]sulfanylbenzene
CID 134935365
[(Z)-1-phenylhept-1-enyl]sulfanylbenzene
CID 10924031
3-[methoxy(phenylsulfanyl)methyl]tetradec-2-en-1-ol
CID 71322473

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(3-phenylsulfanylbut-2-enyl)oct-1-enyl]silane?
The IUPAC name of trimethyl-[2-(3-phenylsulfanylbut-2-enyl)oct-1-enyl]silane (CID 71415265) is trimethyl-[2-(3-phenylsulfanylbut-2-enyl)oct-1-enyl]silane.
What is the SMILES notation for trimethyl-[2-(3-phenylsulfanylbut-2-enyl)oct-1-enyl]silane?
The canonical SMILES for trimethyl-[2-(3-phenylsulfanylbut-2-enyl)oct-1-enyl]silane is CCCCCCC(=C[Si](C)(C)C)CC=C(C)Sc1ccccc1.
What is the InChIKey of trimethyl-[2-(3-phenylsulfanylbut-2-enyl)oct-1-enyl]silane?
The InChIKey is RWWGERCSUJWZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34SSi/c1-6-7-8-10-13-20(18-23(3,4)5)17-16-19(2)22-21-14-11-9-12-15-21/h9,11-12,14-16,18H,6-8,10,13,17H2,1-5H3.
What are the key properties of trimethyl-[2-(3-phenylsulfanylbut-2-enyl)oct-1-enyl]silane?
trimethyl-[2-(3-phenylsulfanylbut-2-enyl)oct-1-enyl]silane has a molecular weight of 346.66 g/mol, XLogP of 7.85, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(3-phenylsulfanylbut-2-enyl)oct-1-enyl]silane is sourced from PubChem (CID 71415265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).