[(Z)-1-tert-butylsulfanyl-4-(oxan-2-yloxy)but-1-enyl]-triethoxysilane

C19H38O5SSi — CID 132513949

IUPAC[(Z)-1-tert-butylsulfanyl-4-(oxan-2-yloxy)but-1-enyl]-triethoxysilane
SMILESCCO[Si](OCC)(OCC)/C(=C/CCOC1CCCCO1)SC(C)(C)C
InChIInChI=1S/C19H38O5SSi/c1-7-22-26(23-8-2,24-9-3)18(25-19(4,5)6)14-12-16-21-17-13-10-11-15-20-17/h14,17H,7-13,15-16H2,1-6H3/b18-14+
InChIKeyPJXRHXSHRWEUOU-NBVRZTHBSA-N
MW406.66 g/mol
LogP4.92
Rot. Bonds12

About [(Z)-1-tert-butylsulfanyl-4-(oxan-2-yloxy)but-1-enyl]-triethoxysilane

[(Z)-1-tert-butylsulfanyl-4-(oxan-2-yloxy)but-1-enyl]-triethoxysilane (PubChem CID 132513949) has the molecular formula C19H38O5SSi and a molecular weight of 406.66 g/mol. Its IUPAC name is [(Z)-1-tert-butylsulfanyl-4-(oxan-2-yloxy)but-1-enyl]-triethoxysilane.

Molecular Properties

Compound Name[(Z)-1-tert-butylsulfanyl-4-(oxan-2-yloxy)but-1-enyl]-triethoxysilane
PubChem CID132513949
Molecular FormulaC19H38O5SSi
Molecular Weight406.66 g/mol
Exact Mass406.22
IUPAC Name[(Z)-1-tert-butylsulfanyl-4-(oxan-2-yloxy)but-1-enyl]-triethoxysilane
SMILESCCO[Si](OCC)(OCC)/C(=C/CCOC1CCCCO1)SC(C)(C)C
InChIInChI=1S/C19H38O5SSi/c1-7-22-26(23-8-2,24-9-3)18(25-19(4,5)6)14-12-16-21-17-13-10-11-15-20-17/h14,17H,7-13,15-16H2,1-6H3/b18-14+
InChIKeyPJXRHXSHRWEUOU-NBVRZTHBSA-N
XLogP4.92
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.66
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

2-[(3Z,5E)-nona-3,5-dienoxy]oxane
CID 177457132
2-ethoxyoxane;ethoxy(trimethyl)silane;methane
CID 159715846
2-[(4Z,7Z)-deca-4,7-dienoxy]oxane
CID 10966579
ethyl (E)-5-(oxan-2-yloxy)pent-2-enoate
CID 15839787
trimethyl-[4-(oxan-2-yloxy)butoxy]silane
CID 11218840
2-(4,4-dimethylpentoxy)oxane
CID 59628221
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
2-[(E)-dec-3-enoxy]oxane
CID 15649194
2-[(Z)-4-iodobut-3-enoxy]oxane
CID 10423866
(2S)-2-pent-4-enoxyoxane
CID 58779863
N-ethyl-2-(oxan-2-yloxy)ethanamine
CID 14435554
magnesium;2-ethoxyoxane;dichloride
CID 158421621

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-tert-butylsulfanyl-4-(oxan-2-yloxy)but-1-enyl]-triethoxysilane?
The IUPAC name of [(Z)-1-tert-butylsulfanyl-4-(oxan-2-yloxy)but-1-enyl]-triethoxysilane (CID 132513949) is [(Z)-1-tert-butylsulfanyl-4-(oxan-2-yloxy)but-1-enyl]-triethoxysilane.
What is the SMILES notation for [(Z)-1-tert-butylsulfanyl-4-(oxan-2-yloxy)but-1-enyl]-triethoxysilane?
The canonical SMILES for [(Z)-1-tert-butylsulfanyl-4-(oxan-2-yloxy)but-1-enyl]-triethoxysilane is CCO[Si](OCC)(OCC)/C(=C/CCOC1CCCCO1)SC(C)(C)C.
What is the InChIKey of [(Z)-1-tert-butylsulfanyl-4-(oxan-2-yloxy)but-1-enyl]-triethoxysilane?
The InChIKey is PJXRHXSHRWEUOU-NBVRZTHBSA-N. The full InChI is InChI=1S/C19H38O5SSi/c1-7-22-26(23-8-2,24-9-3)18(25-19(4,5)6)14-12-16-21-17-13-10-11-15-20-17/h14,17H,7-13,15-16H2,1-6H3/b18-14+.
What are the key properties of [(Z)-1-tert-butylsulfanyl-4-(oxan-2-yloxy)but-1-enyl]-triethoxysilane?
[(Z)-1-tert-butylsulfanyl-4-(oxan-2-yloxy)but-1-enyl]-triethoxysilane has a molecular weight of 406.66 g/mol, XLogP of 4.92, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-tert-butylsulfanyl-4-(oxan-2-yloxy)but-1-enyl]-triethoxysilane is sourced from PubChem (CID 132513949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).