tert-butyl-[(Z)-6-butylselanyl-5-butylsulfanylhex-5-enoxy]-dimethylsilane

C20H42OSSeSi — CID 11293530

IUPACtert-butyl-[(Z)-6-butylselanyl-5-butylsulfanylhex-5-enoxy]-dimethylsilane
SMILESCCCCS/C(=C\[Se]CCCC)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42OSSeSi/c1-8-10-16-22-19(18-23-17-11-9-2)14-12-13-15-21-24(6,7)20(3,4)5/h18H,8-17H2,1-7H3/b19-18-
InChIKeyGKQWYSZKNNXSHN-HNENSFHCSA-N
MW437.67 g/mol
LogP7.48
Rot. Bonds14

About tert-butyl-[(Z)-6-butylselanyl-5-butylsulfanylhex-5-enoxy]-dimethylsilane

tert-butyl-[(Z)-6-butylselanyl-5-butylsulfanylhex-5-enoxy]-dimethylsilane (PubChem CID 11293530) has the molecular formula C20H42OSSeSi and a molecular weight of 437.67 g/mol. Its IUPAC name is tert-butyl-[(Z)-6-butylselanyl-5-butylsulfanylhex-5-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-6-butylselanyl-5-butylsulfanylhex-5-enoxy]-dimethylsilane
PubChem CID11293530
Molecular FormulaC20H42OSSeSi
Molecular Weight437.67 g/mol
Exact Mass438.19
IUPAC Nametert-butyl-[(Z)-6-butylselanyl-5-butylsulfanylhex-5-enoxy]-dimethylsilane
SMILESCCCCS/C(=C\[Se]CCCC)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42OSSeSi/c1-8-10-16-22-19(18-23-17-11-9-2)14-12-13-15-21-24(6,7)20(3,4)5/h18H,8-17H2,1-7H3/b19-18-
InChIKeyGKQWYSZKNNXSHN-HNENSFHCSA-N
XLogP7.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.67
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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azane;butoxy-tert-butyl-dimethylsilane
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tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
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tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
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tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl-dimethyl-[(E)-octadec-6-enoxy]silane
CID 6430282
tert-butyl-dimethyl-[(Z)-tetracos-15-enoxy]silane
CID 6430267
tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane
CID 6430269
tert-butyl-dimethyl-[(Z)-6-phenylselanyl-5-phenylsulfanylhex-5-enoxy]silane
CID 11374991
N-butyl-4-[tert-butyl(dimethyl)silyl]oxybutan-1-amine
CID 146913472
(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal
CID 42611333

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-6-butylselanyl-5-butylsulfanylhex-5-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z)-6-butylselanyl-5-butylsulfanylhex-5-enoxy]-dimethylsilane (CID 11293530) is tert-butyl-[(Z)-6-butylselanyl-5-butylsulfanylhex-5-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z)-6-butylselanyl-5-butylsulfanylhex-5-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z)-6-butylselanyl-5-butylsulfanylhex-5-enoxy]-dimethylsilane is CCCCS/C(=C\[Se]CCCC)CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(Z)-6-butylselanyl-5-butylsulfanylhex-5-enoxy]-dimethylsilane?
The InChIKey is GKQWYSZKNNXSHN-HNENSFHCSA-N. The full InChI is InChI=1S/C20H42OSSeSi/c1-8-10-16-22-19(18-23-17-11-9-2)14-12-13-15-21-24(6,7)20(3,4)5/h18H,8-17H2,1-7H3/b19-18-.
What are the key properties of tert-butyl-[(Z)-6-butylselanyl-5-butylsulfanylhex-5-enoxy]-dimethylsilane?
tert-butyl-[(Z)-6-butylselanyl-5-butylsulfanylhex-5-enoxy]-dimethylsilane has a molecular weight of 437.67 g/mol, XLogP of 7.48, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-6-butylselanyl-5-butylsulfanylhex-5-enoxy]-dimethylsilane is sourced from PubChem (CID 11293530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).