tert-butyl-dimethyl-[(2E,4R,5S,6R)-3,5,9-trimethyl-6-(methylsulfanylmethoxy)deca-2,8-dien-4-yl]oxysilane

C21H42O2SSi — CID 140765689

IUPACtert-butyl-dimethyl-[(2E,4R,5S,6R)-3,5,9-trimethyl-6-(methylsulfanylmethoxy)deca-2,8-dien-4-yl]oxysilane
SMILESC/C=C(\C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](CC=C(C)C)OCSC
InChIInChI=1S/C21H42O2SSi/c1-12-17(4)20(23-25(10,11)21(6,7)8)18(5)19(22-15-24-9)14-13-16(2)3/h12-13,18-20H,14-15H2,1-11H3/b17-12+/t18-,19+,20-/m0/s1
InChIKeyCDKUESUWGURPBD-DJOUCLFWSA-N
MW386.72 g/mol
LogP7.04
Rot. Bonds10

About tert-butyl-dimethyl-[(2E,4R,5S,6R)-3,5,9-trimethyl-6-(methylsulfanylmethoxy)deca-2,8-dien-4-yl]oxysilane

tert-butyl-dimethyl-[(2E,4R,5S,6R)-3,5,9-trimethyl-6-(methylsulfanylmethoxy)deca-2,8-dien-4-yl]oxysilane (PubChem CID 140765689) has the molecular formula C21H42O2SSi and a molecular weight of 386.72 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2E,4R,5S,6R)-3,5,9-trimethyl-6-(methylsulfanylmethoxy)deca-2,8-dien-4-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2E,4R,5S,6R)-3,5,9-trimethyl-6-(methylsulfanylmethoxy)deca-2,8-dien-4-yl]oxysilane
PubChem CID140765689
Molecular FormulaC21H42O2SSi
Molecular Weight386.72 g/mol
Exact Mass386.27
IUPAC Nametert-butyl-dimethyl-[(2E,4R,5S,6R)-3,5,9-trimethyl-6-(methylsulfanylmethoxy)deca-2,8-dien-4-yl]oxysilane
SMILESC/C=C(\C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](CC=C(C)C)OCSC
InChIInChI=1S/C21H42O2SSi/c1-12-17(4)20(23-25(10,11)21(6,7)8)18(5)19(22-15-24-9)14-13-16(2)3/h12-13,18-20H,14-15H2,1-11H3/b17-12+/t18-,19+,20-/m0/s1
InChIKeyCDKUESUWGURPBD-DJOUCLFWSA-N
XLogP7.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.72
LogP ≤ 57.04
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-dimethyl-[(2E,4R,5S,6R)-3,5,9-trimethyl-6-(methylsulfanylmethoxy)deca-2,8-dien-4-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2E,4R,5S,6R)-3,5,9-trimethyl-6-(methylsulfanylmethoxy)deca-2,8-dien-4-yl]oxysilane (CID 140765689) is tert-butyl-dimethyl-[(2E,4R,5S,6R)-3,5,9-trimethyl-6-(methylsulfanylmethoxy)deca-2,8-dien-4-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2E,4R,5S,6R)-3,5,9-trimethyl-6-(methylsulfanylmethoxy)deca-2,8-dien-4-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2E,4R,5S,6R)-3,5,9-trimethyl-6-(methylsulfanylmethoxy)deca-2,8-dien-4-yl]oxysilane is C/C=C(\C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](CC=C(C)C)OCSC.
What is the InChIKey of tert-butyl-dimethyl-[(2E,4R,5S,6R)-3,5,9-trimethyl-6-(methylsulfanylmethoxy)deca-2,8-dien-4-yl]oxysilane?
The InChIKey is CDKUESUWGURPBD-DJOUCLFWSA-N. The full InChI is InChI=1S/C21H42O2SSi/c1-12-17(4)20(23-25(10,11)21(6,7)8)18(5)19(22-15-24-9)14-13-16(2)3/h12-13,18-20H,14-15H2,1-11H3/b17-12+/t18-,19+,20-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2E,4R,5S,6R)-3,5,9-trimethyl-6-(methylsulfanylmethoxy)deca-2,8-dien-4-yl]oxysilane?
tert-butyl-dimethyl-[(2E,4R,5S,6R)-3,5,9-trimethyl-6-(methylsulfanylmethoxy)deca-2,8-dien-4-yl]oxysilane has a molecular weight of 386.72 g/mol, XLogP of 7.04, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2E,4R,5S,6R)-3,5,9-trimethyl-6-(methylsulfanylmethoxy)deca-2,8-dien-4-yl]oxysilane is sourced from PubChem (CID 140765689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).