[(E)-3-cyclopentyl-1-methylsulfanylprop-1-enoxy]-trimethylsilane

C12H24OSSi — CID 101109990

IUPAC[(E)-3-cyclopentyl-1-methylsulfanylprop-1-enoxy]-trimethylsilane
SMILESCS/C(=C/CC1CCCC1)O[Si](C)(C)C
InChIInChI=1S/C12H24OSSi/c1-14-12(13-15(2,3)4)10-9-11-7-5-6-8-11/h10-11H,5-9H2,1-4H3/b12-10+
InChIKeyVGCGQHLDAHHKBV-ZRDIBKRKSA-N
MW244.48 g/mol
LogP4.62
Rot. Bonds5

About [(E)-3-cyclopentyl-1-methylsulfanylprop-1-enoxy]-trimethylsilane

[(E)-3-cyclopentyl-1-methylsulfanylprop-1-enoxy]-trimethylsilane (PubChem CID 101109990) has the molecular formula C12H24OSSi and a molecular weight of 244.48 g/mol. Its IUPAC name is [(E)-3-cyclopentyl-1-methylsulfanylprop-1-enoxy]-trimethylsilane.

Molecular Properties

Compound Name[(E)-3-cyclopentyl-1-methylsulfanylprop-1-enoxy]-trimethylsilane
PubChem CID101109990
Molecular FormulaC12H24OSSi
Molecular Weight244.48 g/mol
Exact Mass244.13
IUPAC Name[(E)-3-cyclopentyl-1-methylsulfanylprop-1-enoxy]-trimethylsilane
SMILESCS/C(=C/CC1CCCC1)O[Si](C)(C)C
InChIInChI=1S/C12H24OSSi/c1-14-12(13-15(2,3)4)10-9-11-7-5-6-8-11/h10-11H,5-9H2,1-4H3/b12-10+
InChIKeyVGCGQHLDAHHKBV-ZRDIBKRKSA-N
XLogP4.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.48
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-cyclopentyl-1-methylsulfanylprop-1-enoxy]-trimethylsilane?
The IUPAC name of [(E)-3-cyclopentyl-1-methylsulfanylprop-1-enoxy]-trimethylsilane (CID 101109990) is [(E)-3-cyclopentyl-1-methylsulfanylprop-1-enoxy]-trimethylsilane.
What is the SMILES notation for [(E)-3-cyclopentyl-1-methylsulfanylprop-1-enoxy]-trimethylsilane?
The canonical SMILES for [(E)-3-cyclopentyl-1-methylsulfanylprop-1-enoxy]-trimethylsilane is CS/C(=C/CC1CCCC1)O[Si](C)(C)C.
What is the InChIKey of [(E)-3-cyclopentyl-1-methylsulfanylprop-1-enoxy]-trimethylsilane?
The InChIKey is VGCGQHLDAHHKBV-ZRDIBKRKSA-N. The full InChI is InChI=1S/C12H24OSSi/c1-14-12(13-15(2,3)4)10-9-11-7-5-6-8-11/h10-11H,5-9H2,1-4H3/b12-10+.
What are the key properties of [(E)-3-cyclopentyl-1-methylsulfanylprop-1-enoxy]-trimethylsilane?
[(E)-3-cyclopentyl-1-methylsulfanylprop-1-enoxy]-trimethylsilane has a molecular weight of 244.48 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-cyclopentyl-1-methylsulfanylprop-1-enoxy]-trimethylsilane is sourced from PubChem (CID 101109990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).