[(E,3S,4S,7S)-3,5-dimethyl-7-methylsulfonyloct-5-en-4-yl]oxy-trimethylsilane

C14H30O3SSi — CID 101373373

IUPAC[(E,3S,4S,7S)-3,5-dimethyl-7-methylsulfonyloct-5-en-4-yl]oxy-trimethylsilane
SMILESCC[C@H](C)[C@H](O[Si](C)(C)C)/C(C)=C/[C@H](C)S(C)(=O)=O
InChIInChI=1S/C14H30O3SSi/c1-9-11(2)14(17-19(6,7)8)12(3)10-13(4)18(5,15)16/h10-11,13-14H,9H2,1-8H3/b12-10+/t11-,13-,14-/m0/s1
InChIKeyILYZRGQZLJXGFL-YEPKLUKZSA-N
MW306.54 g/mol
LogP3.63
Rot. Bonds7

About [(E,3S,4S,7S)-3,5-dimethyl-7-methylsulfonyloct-5-en-4-yl]oxy-trimethylsilane

[(E,3S,4S,7S)-3,5-dimethyl-7-methylsulfonyloct-5-en-4-yl]oxy-trimethylsilane (PubChem CID 101373373) has the molecular formula C14H30O3SSi and a molecular weight of 306.54 g/mol. Its IUPAC name is [(E,3S,4S,7S)-3,5-dimethyl-7-methylsulfonyloct-5-en-4-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(E,3S,4S,7S)-3,5-dimethyl-7-methylsulfonyloct-5-en-4-yl]oxy-trimethylsilane
PubChem CID101373373
Molecular FormulaC14H30O3SSi
Molecular Weight306.54 g/mol
Exact Mass306.17
IUPAC Name[(E,3S,4S,7S)-3,5-dimethyl-7-methylsulfonyloct-5-en-4-yl]oxy-trimethylsilane
SMILESCC[C@H](C)[C@H](O[Si](C)(C)C)/C(C)=C/[C@H](C)S(C)(=O)=O
InChIInChI=1S/C14H30O3SSi/c1-9-11(2)14(17-19(6,7)8)12(3)10-13(4)18(5,15)16/h10-11,13-14H,9H2,1-8H3/b12-10+/t11-,13-,14-/m0/s1
InChIKeyILYZRGQZLJXGFL-YEPKLUKZSA-N
XLogP3.63
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.54
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z,3R,4R,7S)-3,5-dimethyl-7-methylsulfonyl-4-trimethylsilyloxyoct-5-en-2-one
CID 177449026
(E,2R,3R,6S,7R)-2,4,6-trimethyl-7-triethylsilyloxy-3-trimethylsilyloxyoct-4-enal
CID 71725889
(E,2R,3R,6R)-2,4,6-trimethyl-3-triethylsilyloxynon-4-en-1-ol
CID 101227709
(4S,5R,6S)-4,6-dimethyl-5-trimethylsilyloxyoctan-3-one
CID 102183052
2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199
trimethyl-[(3Z,5R,6R,7E,9S)-3,5,7,9-tetramethyl-6-tri(propan-2-yl)silyloxyundeca-3,7-dien-1-ynyl]silane
CID 10527486
(E,5S,8S)-2,2,6-trimethyl-8-methylsulfonyl-5-phenylmethoxynon-6-en-3-one
CID 101123087
4-methyl-2-methylsulfonylhexan-3-amine
CID 105017498
2-trimethylsilyloxybutanoic acid
CID 88616813
(2E,4E,6E,8E)-8,10-dimethyldodeca-2,4,6,8-tetraenoic acid;methanesulfonic acid
CID 72707212
(E,3S,4R,5R)-3,5-dimethyl-6-trimethylsilyloxyoct-6-en-4-ol
CID 10490532
3-methylpentan-2-yl methanesulfonate
CID 89448678

Frequently Asked Questions

What is the IUPAC name of [(E,3S,4S,7S)-3,5-dimethyl-7-methylsulfonyloct-5-en-4-yl]oxy-trimethylsilane?
The IUPAC name of [(E,3S,4S,7S)-3,5-dimethyl-7-methylsulfonyloct-5-en-4-yl]oxy-trimethylsilane (CID 101373373) is [(E,3S,4S,7S)-3,5-dimethyl-7-methylsulfonyloct-5-en-4-yl]oxy-trimethylsilane.
What is the SMILES notation for [(E,3S,4S,7S)-3,5-dimethyl-7-methylsulfonyloct-5-en-4-yl]oxy-trimethylsilane?
The canonical SMILES for [(E,3S,4S,7S)-3,5-dimethyl-7-methylsulfonyloct-5-en-4-yl]oxy-trimethylsilane is CC[C@H](C)[C@H](O[Si](C)(C)C)/C(C)=C/[C@H](C)S(C)(=O)=O.
What is the InChIKey of [(E,3S,4S,7S)-3,5-dimethyl-7-methylsulfonyloct-5-en-4-yl]oxy-trimethylsilane?
The InChIKey is ILYZRGQZLJXGFL-YEPKLUKZSA-N. The full InChI is InChI=1S/C14H30O3SSi/c1-9-11(2)14(17-19(6,7)8)12(3)10-13(4)18(5,15)16/h10-11,13-14H,9H2,1-8H3/b12-10+/t11-,13-,14-/m0/s1.
What are the key properties of [(E,3S,4S,7S)-3,5-dimethyl-7-methylsulfonyloct-5-en-4-yl]oxy-trimethylsilane?
[(E,3S,4S,7S)-3,5-dimethyl-7-methylsulfonyloct-5-en-4-yl]oxy-trimethylsilane has a molecular weight of 306.54 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,3S,4S,7S)-3,5-dimethyl-7-methylsulfonyloct-5-en-4-yl]oxy-trimethylsilane is sourced from PubChem (CID 101373373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).