5,5-bis(methylsulfanyl)pent-1-en-3-yloxy-trimethylsilane

C10H22OS2Si — CID 11075904

IUPAC5,5-bis(methylsulfanyl)pent-1-en-3-yloxy-trimethylsilane
SMILESC=CC(CC(SC)SC)O[Si](C)(C)C
InChIInChI=1S/C10H22OS2Si/c1-7-9(11-14(4,5)6)8-10(12-2)13-3/h7,9-10H,1,8H2,2-6H3
InChIKeyCLNWPCWVOMWLPA-UHFFFAOYSA-N
MW250.50 g/mol
LogP3.83
Rot. Bonds7

About 5,5-bis(methylsulfanyl)pent-1-en-3-yloxy-trimethylsilane

5,5-bis(methylsulfanyl)pent-1-en-3-yloxy-trimethylsilane (PubChem CID 11075904) has the molecular formula C10H22OS2Si and a molecular weight of 250.50 g/mol. Its IUPAC name is 5,5-bis(methylsulfanyl)pent-1-en-3-yloxy-trimethylsilane.

Molecular Properties

Compound Name5,5-bis(methylsulfanyl)pent-1-en-3-yloxy-trimethylsilane
PubChem CID11075904
Molecular FormulaC10H22OS2Si
Molecular Weight250.50 g/mol
Exact Mass250.09
IUPAC Name5,5-bis(methylsulfanyl)pent-1-en-3-yloxy-trimethylsilane
SMILESC=CC(CC(SC)SC)O[Si](C)(C)C
InChIInChI=1S/C10H22OS2Si/c1-7-9(11-14(4,5)6)8-10(12-2)13-3/h7,9-10H,1,8H2,2-6H3
InChIKeyCLNWPCWVOMWLPA-UHFFFAOYSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.50
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl-dimethyl-[1-(thiiran-2-yl)prop-2-enoxy]silane
CID 10421401
[(2R)-1-(1,3-dithian-2-yl)pent-4-en-2-yl]oxy-triethylsilane
CID 11336143
[5,5-Bis(methylsulfanyl)-3-trimethylsilyloxypent-1-en-2-yl]-trimethylsilane
CID 11823461
tert-butyl-[(3S,4R)-4-(1,3-dithian-2-yl)pent-1-en-3-yl]oxy-dimethylsilane
CID 53253924
tert-butyl-[(E)-4-tert-butylsulfanylbut-3-en-2-yl]oxy-dimethylsilane
CID 14009714
tert-butyl-[(Z)-4-tert-butylsulfanylbut-3-en-2-yl]oxy-dimethylsilane
CID 14009715
1-(1,3-Dithian-2-yl)but-3-en-2-yloxy-trimethylsilane
CID 11747435
Trimethyl-[2-methyl-5,5-bis(methylsulfanyl)pent-1-en-3-yl]oxysilane
CID 11807566
[(5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl]sulfanyl-methylsulfanylmethanone
CID 53389216

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(methylsulfanyl)pent-1-en-3-yloxy-trimethylsilane?
The IUPAC name of 5,5-bis(methylsulfanyl)pent-1-en-3-yloxy-trimethylsilane (CID 11075904) is 5,5-bis(methylsulfanyl)pent-1-en-3-yloxy-trimethylsilane.
What is the SMILES notation for 5,5-bis(methylsulfanyl)pent-1-en-3-yloxy-trimethylsilane?
The canonical SMILES for 5,5-bis(methylsulfanyl)pent-1-en-3-yloxy-trimethylsilane is C=CC(CC(SC)SC)O[Si](C)(C)C.
What is the InChIKey of 5,5-bis(methylsulfanyl)pent-1-en-3-yloxy-trimethylsilane?
The InChIKey is CLNWPCWVOMWLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OS2Si/c1-7-9(11-14(4,5)6)8-10(12-2)13-3/h7,9-10H,1,8H2,2-6H3.
What are the key properties of 5,5-bis(methylsulfanyl)pent-1-en-3-yloxy-trimethylsilane?
5,5-bis(methylsulfanyl)pent-1-en-3-yloxy-trimethylsilane has a molecular weight of 250.50 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(methylsulfanyl)pent-1-en-3-yloxy-trimethylsilane is sourced from PubChem (CID 11075904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).