[tert-butyl(dimethyl)silyl] (E)-4,4-dimethyl-5-methylsulfanylpent-2-enoate

C14H28O2SSi — CID 11087474

IUPAC[tert-butyl(dimethyl)silyl] (E)-4,4-dimethyl-5-methylsulfanylpent-2-enoate
SMILESCSCC(C)(C)/C=C/C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2SSi/c1-13(2,3)18(7,8)16-12(15)9-10-14(4,5)11-17-6/h9-10H,11H2,1-8H3/b10-9+
InChIKeyAYAUEGHJMOCPMZ-MDZDMXLPSA-N
MW288.53 g/mol
LogP4.48
Rot. Bonds5

About [tert-butyl(dimethyl)silyl] (E)-4,4-dimethyl-5-methylsulfanylpent-2-enoate

[tert-butyl(dimethyl)silyl] (E)-4,4-dimethyl-5-methylsulfanylpent-2-enoate (PubChem CID 11087474) has the molecular formula C14H28O2SSi and a molecular weight of 288.53 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] (E)-4,4-dimethyl-5-methylsulfanylpent-2-enoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] (E)-4,4-dimethyl-5-methylsulfanylpent-2-enoate
PubChem CID11087474
Molecular FormulaC14H28O2SSi
Molecular Weight288.53 g/mol
Exact Mass288.16
IUPAC Name[tert-butyl(dimethyl)silyl] (E)-4,4-dimethyl-5-methylsulfanylpent-2-enoate
SMILESCSCC(C)(C)/C=C/C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2SSi/c1-13(2,3)18(7,8)16-12(15)9-10-14(4,5)11-17-6/h9-10H,11H2,1-8H3/b10-9+
InChIKeyAYAUEGHJMOCPMZ-MDZDMXLPSA-N
XLogP4.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.53
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis[tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enedioate
CID 91741643
[tert-butyl(dimethyl)silyl] (2E,4E)-hexa-2,4-dienoate
CID 5374163
2-[[4-[tert-butyl(dimethyl)silyl]oxy-4-oxobut-2-enyl]amino]acetic acid
CID 131715956
[tert-butyl(dimethyl)silyl] (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoate
CID 10714716
methyl (2Z,4E)-6-bromo-3-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate
CID 10925703
bis[tert-butyl(dimethyl)silyl] hexanedioate
CID 528567
[tert-butyl(dimethyl)silyl] 2-chloroacetate
CID 4279826
2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enyl (2E)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpenta-2,4-dienoate
CID 11036351
(2-methyl-1-methylsulfanylpropan-2-yl) prop-2-enoate
CID 20643698
[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]phosphonic acid
CID 58473369
4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate
CID 87697847
[tert-butyl(dimethyl)silyl] 3-acetylsulfanylpropanoate
CID 91713351

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] (E)-4,4-dimethyl-5-methylsulfanylpent-2-enoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] (E)-4,4-dimethyl-5-methylsulfanylpent-2-enoate (CID 11087474) is [tert-butyl(dimethyl)silyl] (E)-4,4-dimethyl-5-methylsulfanylpent-2-enoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] (E)-4,4-dimethyl-5-methylsulfanylpent-2-enoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] (E)-4,4-dimethyl-5-methylsulfanylpent-2-enoate is CSCC(C)(C)/C=C/C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] (E)-4,4-dimethyl-5-methylsulfanylpent-2-enoate?
The InChIKey is AYAUEGHJMOCPMZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H28O2SSi/c1-13(2,3)18(7,8)16-12(15)9-10-14(4,5)11-17-6/h9-10H,11H2,1-8H3/b10-9+.
What are the key properties of [tert-butyl(dimethyl)silyl] (E)-4,4-dimethyl-5-methylsulfanylpent-2-enoate?
[tert-butyl(dimethyl)silyl] (E)-4,4-dimethyl-5-methylsulfanylpent-2-enoate has a molecular weight of 288.53 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] (E)-4,4-dimethyl-5-methylsulfanylpent-2-enoate is sourced from PubChem (CID 11087474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).