[5,5-bis(methylsulfanyl)-3-trimethylsilyloxypent-1-en-2-yl]-trimethylsilane

C13H30OS2Si2 — CID 11823461

IUPAC[5,5-bis(methylsulfanyl)-3-trimethylsilyloxypent-1-en-2-yl]-trimethylsilane
SMILESC=C(C(CC(SC)SC)O[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C13H30OS2Si2/c1-11(17(4,5)6)12(14-18(7,8)9)10-13(15-2)16-3/h12-13H,1,10H2,2-9H3
InChIKeyNWGAKFOPJCXYKQ-UHFFFAOYSA-N
MW322.69 g/mol
LogP5.08
Rot. Bonds8

About [5,5-bis(methylsulfanyl)-3-trimethylsilyloxypent-1-en-2-yl]-trimethylsilane

[5,5-bis(methylsulfanyl)-3-trimethylsilyloxypent-1-en-2-yl]-trimethylsilane (PubChem CID 11823461) has the molecular formula C13H30OS2Si2 and a molecular weight of 322.69 g/mol. Its IUPAC name is [5,5-bis(methylsulfanyl)-3-trimethylsilyloxypent-1-en-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[5,5-bis(methylsulfanyl)-3-trimethylsilyloxypent-1-en-2-yl]-trimethylsilane
PubChem CID11823461
Molecular FormulaC13H30OS2Si2
Molecular Weight322.69 g/mol
Exact Mass322.13
IUPAC Name[5,5-bis(methylsulfanyl)-3-trimethylsilyloxypent-1-en-2-yl]-trimethylsilane
SMILESC=C(C(CC(SC)SC)O[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C13H30OS2Si2/c1-11(17(4,5)6)12(14-18(7,8)9)10-13(15-2)16-3/h12-13H,1,10H2,2-9H3
InChIKeyNWGAKFOPJCXYKQ-UHFFFAOYSA-N
XLogP5.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.69
LogP ≤ 55.08
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'}

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Frequently Asked Questions

What is the IUPAC name of [5,5-bis(methylsulfanyl)-3-trimethylsilyloxypent-1-en-2-yl]-trimethylsilane?
The IUPAC name of [5,5-bis(methylsulfanyl)-3-trimethylsilyloxypent-1-en-2-yl]-trimethylsilane (CID 11823461) is [5,5-bis(methylsulfanyl)-3-trimethylsilyloxypent-1-en-2-yl]-trimethylsilane.
What is the SMILES notation for [5,5-bis(methylsulfanyl)-3-trimethylsilyloxypent-1-en-2-yl]-trimethylsilane?
The canonical SMILES for [5,5-bis(methylsulfanyl)-3-trimethylsilyloxypent-1-en-2-yl]-trimethylsilane is C=C(C(CC(SC)SC)O[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of [5,5-bis(methylsulfanyl)-3-trimethylsilyloxypent-1-en-2-yl]-trimethylsilane?
The InChIKey is NWGAKFOPJCXYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30OS2Si2/c1-11(17(4,5)6)12(14-18(7,8)9)10-13(15-2)16-3/h12-13H,1,10H2,2-9H3.
What are the key properties of [5,5-bis(methylsulfanyl)-3-trimethylsilyloxypent-1-en-2-yl]-trimethylsilane?
[5,5-bis(methylsulfanyl)-3-trimethylsilyloxypent-1-en-2-yl]-trimethylsilane has a molecular weight of 322.69 g/mol, XLogP of 5.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5,5-bis(methylsulfanyl)-3-trimethylsilyloxypent-1-en-2-yl]-trimethylsilane is sourced from PubChem (CID 11823461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).