trimethylsilyl (Z,4S,5R)-4-methoxy-5-methyl-6-oxooct-2-ene-1-sulfinate

C13H26O4SSi — CID 10979709

IUPACtrimethylsilyl (Z,4S,5R)-4-methoxy-5-methyl-6-oxooct-2-ene-1-sulfinate
SMILESCCC(=O)[C@H](C)[C@H](/C=C\CS(=O)O[Si](C)(C)C)OC
InChIInChI=1S/C13H26O4SSi/c1-7-12(14)11(2)13(16-3)9-8-10-18(15)17-19(4,5)6/h8-9,11,13H,7,10H2,1-6H3/b9-8-/t11-,13-,18?/m0/s1
InChIKeyZHGNVXUETBAVTQ-DBFPGJADSA-N
MW306.50 g/mol
LogP2.69
Rot. Bonds9

About trimethylsilyl (Z,4S,5R)-4-methoxy-5-methyl-6-oxooct-2-ene-1-sulfinate

trimethylsilyl (Z,4S,5R)-4-methoxy-5-methyl-6-oxooct-2-ene-1-sulfinate (PubChem CID 10979709) has the molecular formula C13H26O4SSi and a molecular weight of 306.50 g/mol. Its IUPAC name is trimethylsilyl (Z,4S,5R)-4-methoxy-5-methyl-6-oxooct-2-ene-1-sulfinate.

Molecular Properties

Compound Nametrimethylsilyl (Z,4S,5R)-4-methoxy-5-methyl-6-oxooct-2-ene-1-sulfinate
PubChem CID10979709
Molecular FormulaC13H26O4SSi
Molecular Weight306.50 g/mol
Exact Mass306.13
IUPAC Nametrimethylsilyl (Z,4S,5R)-4-methoxy-5-methyl-6-oxooct-2-ene-1-sulfinate
SMILESCCC(=O)[C@H](C)[C@H](/C=C\CS(=O)O[Si](C)(C)C)OC
InChIInChI=1S/C13H26O4SSi/c1-7-12(14)11(2)13(16-3)9-8-10-18(15)17-19(4,5)6/h8-9,11,13H,7,10H2,1-6H3/b9-8-/t11-,13-,18?/m0/s1
InChIKeyZHGNVXUETBAVTQ-DBFPGJADSA-N
XLogP2.69
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze trimethylsilyl (Z,4S,5R)-4-methoxy-5-methyl-6-oxooct-2-ene-1-sulfinate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(E)-but-2-enyl]sulfinyloxy-methylamino]propanoic acid
CID 54003546
(4S,5R)-4,6-dimethyl-5-trimethylsilyloxyheptan-3-one
CID 11701394
4-methoxy-5-methylheptan-3-one
CID 83225969
4-methoxy-5-methylhexan-3-one
CID 83225971
(4S,5R,6S)-4,6-dimethyl-5-trimethylsilyloxyoctan-3-one
CID 102183052
(4R,5S)-5-hydroxy-4-methylheptan-3-one
CID 10986363
6-methoxy-4,5-dimethylhexan-3-one
CID 79416996
4,5,6-trimethylheptan-3-one
CID 123222791
(4S,5R)-5-hydroxy-4-methyloctan-3-one
CID 12759357
[(3S,4S)-2,4-dimethyl-5-oxoheptan-3-yl] methyl carbonate
CID 10775098
[(E,2R)-4-trimethylsilylbut-3-en-2-yl] propanoate
CID 15049400
[(2R,3S)-3-methyl-4-oxohexan-2-yl] acetate
CID 10931886

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (Z,4S,5R)-4-methoxy-5-methyl-6-oxooct-2-ene-1-sulfinate?
The IUPAC name of trimethylsilyl (Z,4S,5R)-4-methoxy-5-methyl-6-oxooct-2-ene-1-sulfinate (CID 10979709) is trimethylsilyl (Z,4S,5R)-4-methoxy-5-methyl-6-oxooct-2-ene-1-sulfinate.
What is the SMILES notation for trimethylsilyl (Z,4S,5R)-4-methoxy-5-methyl-6-oxooct-2-ene-1-sulfinate?
The canonical SMILES for trimethylsilyl (Z,4S,5R)-4-methoxy-5-methyl-6-oxooct-2-ene-1-sulfinate is CCC(=O)[C@H](C)[C@H](/C=C\CS(=O)O[Si](C)(C)C)OC.
What is the InChIKey of trimethylsilyl (Z,4S,5R)-4-methoxy-5-methyl-6-oxooct-2-ene-1-sulfinate?
The InChIKey is ZHGNVXUETBAVTQ-DBFPGJADSA-N. The full InChI is InChI=1S/C13H26O4SSi/c1-7-12(14)11(2)13(16-3)9-8-10-18(15)17-19(4,5)6/h8-9,11,13H,7,10H2,1-6H3/b9-8-/t11-,13-,18?/m0/s1.
What are the key properties of trimethylsilyl (Z,4S,5R)-4-methoxy-5-methyl-6-oxooct-2-ene-1-sulfinate?
trimethylsilyl (Z,4S,5R)-4-methoxy-5-methyl-6-oxooct-2-ene-1-sulfinate has a molecular weight of 306.50 g/mol, XLogP of 2.69, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (Z,4S,5R)-4-methoxy-5-methyl-6-oxooct-2-ene-1-sulfinate is sourced from PubChem (CID 10979709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).