[(Z)-1-cyclohexylsulfanyl-3-methylbut-1-enoxy]-trimethylsilane

C14H28OSSi — CID 15531897

IUPAC[(Z)-1-cyclohexylsulfanyl-3-methylbut-1-enoxy]-trimethylsilane
SMILESCC(C)/C=C(/O[Si](C)(C)C)SC1CCCCC1
InChIInChI=1S/C14H28OSSi/c1-12(2)11-14(15-17(3,4)5)16-13-9-7-6-8-10-13/h11-13H,6-10H2,1-5H3/b14-11-
InChIKeyKYOSZGIYWAFZQK-KAMYIIQDSA-N
MW272.53 g/mol
LogP5.40
Rot. Bonds5

About [(Z)-1-cyclohexylsulfanyl-3-methylbut-1-enoxy]-trimethylsilane

[(Z)-1-cyclohexylsulfanyl-3-methylbut-1-enoxy]-trimethylsilane (PubChem CID 15531897) has the molecular formula C14H28OSSi and a molecular weight of 272.53 g/mol. Its IUPAC name is [(Z)-1-cyclohexylsulfanyl-3-methylbut-1-enoxy]-trimethylsilane.

Molecular Properties

Compound Name[(Z)-1-cyclohexylsulfanyl-3-methylbut-1-enoxy]-trimethylsilane
PubChem CID15531897
Molecular FormulaC14H28OSSi
Molecular Weight272.53 g/mol
Exact Mass272.16
IUPAC Name[(Z)-1-cyclohexylsulfanyl-3-methylbut-1-enoxy]-trimethylsilane
SMILESCC(C)/C=C(/O[Si](C)(C)C)SC1CCCCC1
InChIInChI=1S/C14H28OSSi/c1-12(2)11-14(15-17(3,4)5)16-13-9-7-6-8-10-13/h11-13H,6-10H2,1-5H3/b14-11-
InChIKeyKYOSZGIYWAFZQK-KAMYIIQDSA-N
XLogP5.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.53
LogP ≤ 55.40
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'}

Analyze [(Z)-1-cyclohexylsulfanyl-3-methylbut-1-enoxy]-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-cyclohexylsulfanyl-3-methylbut-1-enoxy]-trimethylsilane?
The IUPAC name of [(Z)-1-cyclohexylsulfanyl-3-methylbut-1-enoxy]-trimethylsilane (CID 15531897) is [(Z)-1-cyclohexylsulfanyl-3-methylbut-1-enoxy]-trimethylsilane.
What is the SMILES notation for [(Z)-1-cyclohexylsulfanyl-3-methylbut-1-enoxy]-trimethylsilane?
The canonical SMILES for [(Z)-1-cyclohexylsulfanyl-3-methylbut-1-enoxy]-trimethylsilane is CC(C)/C=C(/O[Si](C)(C)C)SC1CCCCC1.
What is the InChIKey of [(Z)-1-cyclohexylsulfanyl-3-methylbut-1-enoxy]-trimethylsilane?
The InChIKey is KYOSZGIYWAFZQK-KAMYIIQDSA-N. The full InChI is InChI=1S/C14H28OSSi/c1-12(2)11-14(15-17(3,4)5)16-13-9-7-6-8-10-13/h11-13H,6-10H2,1-5H3/b14-11-.
What are the key properties of [(Z)-1-cyclohexylsulfanyl-3-methylbut-1-enoxy]-trimethylsilane?
[(Z)-1-cyclohexylsulfanyl-3-methylbut-1-enoxy]-trimethylsilane has a molecular weight of 272.53 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-cyclohexylsulfanyl-3-methylbut-1-enoxy]-trimethylsilane is sourced from PubChem (CID 15531897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).