[(1Z)-1-cyclohexylsulfanyl-2-methylbuta-1,3-dienoxy]-trimethylsilane

C14H26OSSi — CID 101187408

IUPAC[(1Z)-1-cyclohexylsulfanyl-2-methylbuta-1,3-dienoxy]-trimethylsilane
SMILESC=C/C(C)=C(/O[Si](C)(C)C)SC1CCCCC1
InChIInChI=1S/C14H26OSSi/c1-6-12(2)14(15-17(3,4)5)16-13-10-8-7-9-11-13/h6,13H,1,7-11H2,2-5H3/b14-12-
InChIKeyGYJCNQMJMCKDPL-OWBHPGMISA-N
MW270.51 g/mol
LogP5.32
Rot. Bonds5

About [(1Z)-1-cyclohexylsulfanyl-2-methylbuta-1,3-dienoxy]-trimethylsilane

[(1Z)-1-cyclohexylsulfanyl-2-methylbuta-1,3-dienoxy]-trimethylsilane (PubChem CID 101187408) has the molecular formula C14H26OSSi and a molecular weight of 270.51 g/mol. Its IUPAC name is [(1Z)-1-cyclohexylsulfanyl-2-methylbuta-1,3-dienoxy]-trimethylsilane.

Molecular Properties

Compound Name[(1Z)-1-cyclohexylsulfanyl-2-methylbuta-1,3-dienoxy]-trimethylsilane
PubChem CID101187408
Molecular FormulaC14H26OSSi
Molecular Weight270.51 g/mol
Exact Mass270.15
IUPAC Name[(1Z)-1-cyclohexylsulfanyl-2-methylbuta-1,3-dienoxy]-trimethylsilane
SMILESC=C/C(C)=C(/O[Si](C)(C)C)SC1CCCCC1
InChIInChI=1S/C14H26OSSi/c1-6-12(2)14(15-17(3,4)5)16-13-10-8-7-9-11-13/h6,13H,1,7-11H2,2-5H3/b14-12-
InChIKeyGYJCNQMJMCKDPL-OWBHPGMISA-N
XLogP5.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.51
LogP ≤ 55.32
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(1-tert-butylsulfanyl-2-methylbuta-1,3-dienoxy)-trimethylsilane
CID 74076157
[(Z)-1-cyclohexylsulfanyl-3-methylbut-1-enoxy]-trimethylsilane
CID 15531897
trimethyl-(2-methyl-1-trimethylsilyloxybuta-1,3-dienoxy)silane
CID 12054504
ethane;[(3E)-4-methylhexa-1,3,5-trien-3-yl]cyclohexane
CID 155693272
1-cyclopentylprop-1-enoxy(trimethyl)silane
CID 139972419
[(1E)-1-[(2R)-2-ethenylcyclohexylidene]ethoxy]-trimethylsilane
CID 134955061
[(E)-4-cyclohexylhex-2-en-2-yl]oxy-trimethylsilane
CID 24755885
2-cyclohexylsulfanyl-3-prop-2-enylbut-2-ene-1,4-diol
CID 71326795
[(Z)-2-cyclohexyl-1-methoxyprop-1-enoxy]-trimethylsilane
CID 90371529
1,2-bis(cyclohexylsulfanyl)ethene-1,2-dithiol
CID 76563943
[(1E)-1-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane
CID 12051225
[(E)-3-cyclopentyl-1-methylsulfanylprop-1-enoxy]-trimethylsilane
CID 101109990

Frequently Asked Questions

What is the IUPAC name of [(1Z)-1-cyclohexylsulfanyl-2-methylbuta-1,3-dienoxy]-trimethylsilane?
The IUPAC name of [(1Z)-1-cyclohexylsulfanyl-2-methylbuta-1,3-dienoxy]-trimethylsilane (CID 101187408) is [(1Z)-1-cyclohexylsulfanyl-2-methylbuta-1,3-dienoxy]-trimethylsilane.
What is the SMILES notation for [(1Z)-1-cyclohexylsulfanyl-2-methylbuta-1,3-dienoxy]-trimethylsilane?
The canonical SMILES for [(1Z)-1-cyclohexylsulfanyl-2-methylbuta-1,3-dienoxy]-trimethylsilane is C=C/C(C)=C(/O[Si](C)(C)C)SC1CCCCC1.
What is the InChIKey of [(1Z)-1-cyclohexylsulfanyl-2-methylbuta-1,3-dienoxy]-trimethylsilane?
The InChIKey is GYJCNQMJMCKDPL-OWBHPGMISA-N. The full InChI is InChI=1S/C14H26OSSi/c1-6-12(2)14(15-17(3,4)5)16-13-10-8-7-9-11-13/h6,13H,1,7-11H2,2-5H3/b14-12-.
What are the key properties of [(1Z)-1-cyclohexylsulfanyl-2-methylbuta-1,3-dienoxy]-trimethylsilane?
[(1Z)-1-cyclohexylsulfanyl-2-methylbuta-1,3-dienoxy]-trimethylsilane has a molecular weight of 270.51 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-1-cyclohexylsulfanyl-2-methylbuta-1,3-dienoxy]-trimethylsilane is sourced from PubChem (CID 101187408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).