ethyl (2E,4E)-2-methyl-7-trimethylsilylhepta-2,4-dien-6-ynoate

C13H20O2Si — CID 11390731

IUPACethyl (2E,4E)-2-methyl-7-trimethylsilylhepta-2,4-dien-6-ynoate
SMILESCCOC(=O)/C(C)=C/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C13H20O2Si/c1-6-15-13(14)12(2)10-8-7-9-11-16(3,4)5/h7-8,10H,6H2,1-5H3/b8-7+,12-10+
InChIKeyWBRDVEINWISYRU-DCXZXJRMSA-N
MW236.39 g/mol
LogP2.93
Rot. Bonds3

About ethyl (2E,4E)-2-methyl-7-trimethylsilylhepta-2,4-dien-6-ynoate

ethyl (2E,4E)-2-methyl-7-trimethylsilylhepta-2,4-dien-6-ynoate (PubChem CID 11390731) has the molecular formula C13H20O2Si and a molecular weight of 236.39 g/mol. Its IUPAC name is ethyl (2E,4E)-2-methyl-7-trimethylsilylhepta-2,4-dien-6-ynoate.

Molecular Properties

Compound Nameethyl (2E,4E)-2-methyl-7-trimethylsilylhepta-2,4-dien-6-ynoate
PubChem CID11390731
Molecular FormulaC13H20O2Si
Molecular Weight236.39 g/mol
Exact Mass236.12
IUPAC Nameethyl (2E,4E)-2-methyl-7-trimethylsilylhepta-2,4-dien-6-ynoate
SMILESCCOC(=O)/C(C)=C/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C13H20O2Si/c1-6-15-13(14)12(2)10-8-7-9-11-16(3,4)5/h7-8,10H,6H2,1-5H3/b8-7+,12-10+
InChIKeyWBRDVEINWISYRU-DCXZXJRMSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.39
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl (2E,4E)-2-methyl-7-trimethylsilylhepta-2,4-dien-6-ynoate with MolForge

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Related Compounds

Propargyl methacrylate silyl protected
CID 57624376
Deca-2,8-dien-4,6-diynyl 2-methylbut-2-enoate
CID 162889053
ethyl (E)-4-trimethylsilylbut-2-enoate
CID 13185411
methyl (2E,4E)-5-trimethylsilylpenta-2,4-dienoate
CID 14175468
ethyl (E)-3-methyl-4-trimethylsilylbut-2-enoate
CID 14449541
(E)-4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2-butenoic Acid Ethyl Ester
CID 10490523
ethyl 5-trimethylsilyl-(E)-2-penten-4-ynoate
CID 12398706
2-Penten-4-ynoic acid, 3-methyl-5-(trimethylsilyl)-, ethyl ester, (2E)-
CID 15858658
ethyl (Z)-5-trimethylsilylpent-2-en-4-ynoate
CID 135015774
methyl (2E,4E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,4,6-trienoate
CID 10979372
ethyl (Z)-2-(trimethylsilylmethyl)but-2-enoate
CID 11401400
ethyl (2E)-4-trimethylsilylnona-2,4,5,8-tetraenoate
CID 11448091

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4E)-2-methyl-7-trimethylsilylhepta-2,4-dien-6-ynoate?
The IUPAC name of ethyl (2E,4E)-2-methyl-7-trimethylsilylhepta-2,4-dien-6-ynoate (CID 11390731) is ethyl (2E,4E)-2-methyl-7-trimethylsilylhepta-2,4-dien-6-ynoate.
What is the SMILES notation for ethyl (2E,4E)-2-methyl-7-trimethylsilylhepta-2,4-dien-6-ynoate?
The canonical SMILES for ethyl (2E,4E)-2-methyl-7-trimethylsilylhepta-2,4-dien-6-ynoate is CCOC(=O)/C(C)=C/C=C/C#C[Si](C)(C)C.
What is the InChIKey of ethyl (2E,4E)-2-methyl-7-trimethylsilylhepta-2,4-dien-6-ynoate?
The InChIKey is WBRDVEINWISYRU-DCXZXJRMSA-N. The full InChI is InChI=1S/C13H20O2Si/c1-6-15-13(14)12(2)10-8-7-9-11-16(3,4)5/h7-8,10H,6H2,1-5H3/b8-7+,12-10+.
What are the key properties of ethyl (2E,4E)-2-methyl-7-trimethylsilylhepta-2,4-dien-6-ynoate?
ethyl (2E,4E)-2-methyl-7-trimethylsilylhepta-2,4-dien-6-ynoate has a molecular weight of 236.39 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,4E)-2-methyl-7-trimethylsilylhepta-2,4-dien-6-ynoate is sourced from PubChem (CID 11390731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).