tert-butyl-[(2E,4S,5R,6S,8Z)-3,5-dimethyl-6-(methylsulfanylmethoxy)deca-2,8-dien-4-yl]oxy-dimethylsilane

C20H40O2SSi — CID 140765678

IUPACtert-butyl-[(2E,4S,5R,6S,8Z)-3,5-dimethyl-6-(methylsulfanylmethoxy)deca-2,8-dien-4-yl]oxy-dimethylsilane
SMILESC/C=C\C[C@H](OCSC)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/C
InChIInChI=1S/C20H40O2SSi/c1-11-13-14-18(21-15-23-8)17(4)19(16(3)12-2)22-24(9,10)20(5,6)7/h11-13,17-19H,14-15H2,1-10H3/b13-11-,16-12+/t17-,18+,19-/m1/s1
InChIKeyZGDMVPXOCXDLNX-KVHDQGSKSA-N
MW372.69 g/mol
LogP6.65
Rot. Bonds10

About tert-butyl-[(2E,4S,5R,6S,8Z)-3,5-dimethyl-6-(methylsulfanylmethoxy)deca-2,8-dien-4-yl]oxy-dimethylsilane

tert-butyl-[(2E,4S,5R,6S,8Z)-3,5-dimethyl-6-(methylsulfanylmethoxy)deca-2,8-dien-4-yl]oxy-dimethylsilane (PubChem CID 140765678) has the molecular formula C20H40O2SSi and a molecular weight of 372.69 g/mol. Its IUPAC name is tert-butyl-[(2E,4S,5R,6S,8Z)-3,5-dimethyl-6-(methylsulfanylmethoxy)deca-2,8-dien-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2E,4S,5R,6S,8Z)-3,5-dimethyl-6-(methylsulfanylmethoxy)deca-2,8-dien-4-yl]oxy-dimethylsilane
PubChem CID140765678
Molecular FormulaC20H40O2SSi
Molecular Weight372.69 g/mol
Exact Mass372.25
IUPAC Nametert-butyl-[(2E,4S,5R,6S,8Z)-3,5-dimethyl-6-(methylsulfanylmethoxy)deca-2,8-dien-4-yl]oxy-dimethylsilane
SMILESC/C=C\C[C@H](OCSC)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/C
InChIInChI=1S/C20H40O2SSi/c1-11-13-14-18(21-15-23-8)17(4)19(16(3)12-2)22-24(9,10)20(5,6)7/h11-13,17-19H,14-15H2,1-10H3/b13-11-,16-12+/t17-,18+,19-/m1/s1
InChIKeyZGDMVPXOCXDLNX-KVHDQGSKSA-N
XLogP6.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.69
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2E,4S,5R,6S,8Z)-3,5-dimethyl-6-(methylsulfanylmethoxy)deca-2,8-dien-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2E,4S,5R,6S,8Z)-3,5-dimethyl-6-(methylsulfanylmethoxy)deca-2,8-dien-4-yl]oxy-dimethylsilane (CID 140765678) is tert-butyl-[(2E,4S,5R,6S,8Z)-3,5-dimethyl-6-(methylsulfanylmethoxy)deca-2,8-dien-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2E,4S,5R,6S,8Z)-3,5-dimethyl-6-(methylsulfanylmethoxy)deca-2,8-dien-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2E,4S,5R,6S,8Z)-3,5-dimethyl-6-(methylsulfanylmethoxy)deca-2,8-dien-4-yl]oxy-dimethylsilane is C/C=C\C[C@H](OCSC)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/C.
What is the InChIKey of tert-butyl-[(2E,4S,5R,6S,8Z)-3,5-dimethyl-6-(methylsulfanylmethoxy)deca-2,8-dien-4-yl]oxy-dimethylsilane?
The InChIKey is ZGDMVPXOCXDLNX-KVHDQGSKSA-N. The full InChI is InChI=1S/C20H40O2SSi/c1-11-13-14-18(21-15-23-8)17(4)19(16(3)12-2)22-24(9,10)20(5,6)7/h11-13,17-19H,14-15H2,1-10H3/b13-11-,16-12+/t17-,18+,19-/m1/s1.
What are the key properties of tert-butyl-[(2E,4S,5R,6S,8Z)-3,5-dimethyl-6-(methylsulfanylmethoxy)deca-2,8-dien-4-yl]oxy-dimethylsilane?
tert-butyl-[(2E,4S,5R,6S,8Z)-3,5-dimethyl-6-(methylsulfanylmethoxy)deca-2,8-dien-4-yl]oxy-dimethylsilane has a molecular weight of 372.69 g/mol, XLogP of 6.65, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2E,4S,5R,6S,8Z)-3,5-dimethyl-6-(methylsulfanylmethoxy)deca-2,8-dien-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 140765678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).