(E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-tert-butylsulfanyl-2,4-dimethylpent-1-en-3-ol

C17H36O2SSi — CID 10854068

IUPAC(E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-tert-butylsulfanyl-2,4-dimethylpent-1-en-3-ol
SMILESC/C(=C\SC(C)(C)C)[C@@H](O)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O2SSi/c1-13(11-19-21(9,10)17(6,7)8)15(18)14(2)12-20-16(3,4)5/h12-13,15,18H,11H2,1-10H3/b14-12+/t13-,15+/m1/s1
InChIKeyMZDUKSOHPVIKGO-PDPOEPHVSA-N
MW332.63 g/mol
LogP5.44
Rot. Bonds6

About (E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-tert-butylsulfanyl-2,4-dimethylpent-1-en-3-ol

(E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-tert-butylsulfanyl-2,4-dimethylpent-1-en-3-ol (PubChem CID 10854068) has the molecular formula C17H36O2SSi and a molecular weight of 332.63 g/mol. Its IUPAC name is (E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-tert-butylsulfanyl-2,4-dimethylpent-1-en-3-ol.

Molecular Properties

Compound Name(E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-tert-butylsulfanyl-2,4-dimethylpent-1-en-3-ol
PubChem CID10854068
Molecular FormulaC17H36O2SSi
Molecular Weight332.63 g/mol
Exact Mass332.22
IUPAC Name(E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-tert-butylsulfanyl-2,4-dimethylpent-1-en-3-ol
SMILESC/C(=C\SC(C)(C)C)[C@@H](O)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O2SSi/c1-13(11-19-21(9,10)17(6,7)8)15(18)14(2)12-20-16(3,4)5/h12-13,15,18H,11H2,1-10H3/b14-12+/t13-,15+/m1/s1
InChIKeyMZDUKSOHPVIKGO-PDPOEPHVSA-N
XLogP5.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.63
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-tert-butylsulfanyl-2,4-dimethylpent-1-en-3-ol?
The IUPAC name of (E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-tert-butylsulfanyl-2,4-dimethylpent-1-en-3-ol (CID 10854068) is (E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-tert-butylsulfanyl-2,4-dimethylpent-1-en-3-ol.
What is the SMILES notation for (E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-tert-butylsulfanyl-2,4-dimethylpent-1-en-3-ol?
The canonical SMILES for (E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-tert-butylsulfanyl-2,4-dimethylpent-1-en-3-ol is C/C(=C\SC(C)(C)C)[C@@H](O)[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-tert-butylsulfanyl-2,4-dimethylpent-1-en-3-ol?
The InChIKey is MZDUKSOHPVIKGO-PDPOEPHVSA-N. The full InChI is InChI=1S/C17H36O2SSi/c1-13(11-19-21(9,10)17(6,7)8)15(18)14(2)12-20-16(3,4)5/h12-13,15,18H,11H2,1-10H3/b14-12+/t13-,15+/m1/s1.
What are the key properties of (E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-tert-butylsulfanyl-2,4-dimethylpent-1-en-3-ol?
(E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-tert-butylsulfanyl-2,4-dimethylpent-1-en-3-ol has a molecular weight of 332.63 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-tert-butylsulfanyl-2,4-dimethylpent-1-en-3-ol is sourced from PubChem (CID 10854068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).