ethyl (2S)-2-methyl-3-trimethylsilylhexa-3,4-dienoate

C12H22O2Si — CID 164686466

IUPACethyl (2S)-2-methyl-3-trimethylsilylhexa-3,4-dienoate
SMILESCC=C=C([C@@H](C)C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C12H22O2Si/c1-7-9-11(15(4,5)6)10(3)12(13)14-8-2/h7,10H,8H2,1-6H3/t9?,10-/m1/s1
InChIKeyIBDUNZOIHDYEDH-QVDQXJPCSA-N
MW226.39 g/mol
LogP3.16
Rot. Bonds4

About ethyl (2S)-2-methyl-3-trimethylsilylhexa-3,4-dienoate

ethyl (2S)-2-methyl-3-trimethylsilylhexa-3,4-dienoate (PubChem CID 164686466) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is ethyl (2S)-2-methyl-3-trimethylsilylhexa-3,4-dienoate.

Molecular Properties

Compound Nameethyl (2S)-2-methyl-3-trimethylsilylhexa-3,4-dienoate
PubChem CID164686466
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Nameethyl (2S)-2-methyl-3-trimethylsilylhexa-3,4-dienoate
SMILESCC=C=C([C@@H](C)C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C12H22O2Si/c1-7-9-11(15(4,5)6)10(3)12(13)14-8-2/h7,10H,8H2,1-6H3/t9?,10-/m1/s1
InChIKeyIBDUNZOIHDYEDH-QVDQXJPCSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-4-trimethylsilylbut-3-enoate
CID 11769253
Ethyl 3-methyl-2-(trimethylsilyl)but-3-enoate
CID 12869999
Methyl 2-methyl-4-oxo-3-trimethylsilylbut-3-enoate
CID 14931876
Ethyl 3-triethylsilylbut-3-enoate
CID 146162379
Ethyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate
CID 10910226
Ethyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate
CID 14979602
Ethyl 1,2-bis(trimethylsilyl)cycloprop-2-ene-1-carboxylate
CID 10945060
1,2-Bis(trimethylsilyl)cyclopropene-3-carboxylic acid methyl ester
CID 12474703
2-(2-Acetoxyethyl)-2-propenyltrimethylsilane
CID 12841797
Ethyl 2-trimethylsilylbut-3-enoate
CID 13658179
Ethyl 5-trimethylsilylhexa-3,4-dienoate
CID 14691754
[(E)-4-triethylsilylbut-3-enyl] acetate
CID 18469590

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-methyl-3-trimethylsilylhexa-3,4-dienoate?
The IUPAC name of ethyl (2S)-2-methyl-3-trimethylsilylhexa-3,4-dienoate (CID 164686466) is ethyl (2S)-2-methyl-3-trimethylsilylhexa-3,4-dienoate.
What is the SMILES notation for ethyl (2S)-2-methyl-3-trimethylsilylhexa-3,4-dienoate?
The canonical SMILES for ethyl (2S)-2-methyl-3-trimethylsilylhexa-3,4-dienoate is CC=C=C([C@@H](C)C(=O)OCC)[Si](C)(C)C.
What is the InChIKey of ethyl (2S)-2-methyl-3-trimethylsilylhexa-3,4-dienoate?
The InChIKey is IBDUNZOIHDYEDH-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-7-9-11(15(4,5)6)10(3)12(13)14-8-2/h7,10H,8H2,1-6H3/t9?,10-/m1/s1.
What are the key properties of ethyl (2S)-2-methyl-3-trimethylsilylhexa-3,4-dienoate?
ethyl (2S)-2-methyl-3-trimethylsilylhexa-3,4-dienoate has a molecular weight of 226.39 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-methyl-3-trimethylsilylhexa-3,4-dienoate is sourced from PubChem (CID 164686466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).