ethyl (2E)-4-trimethylsilylnona-2,4,5,8-tetraenoate

C14H22O2Si — CID 11448091

IUPACethyl (2E)-4-trimethylsilylnona-2,4,5,8-tetraenoate
SMILESC=CCC=C=C(/C=C/C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C14H22O2Si/c1-6-8-9-10-13(17(3,4)5)11-12-14(15)16-7-2/h6,9,11-12H,1,7-8H2,2-5H3/b12-11+
InChIKeyOJXVYLFFMKFJOT-VAWYXSNFSA-N
MW250.41 g/mol
LogP3.64
Rot. Bonds6

About ethyl (2E)-4-trimethylsilylnona-2,4,5,8-tetraenoate

ethyl (2E)-4-trimethylsilylnona-2,4,5,8-tetraenoate (PubChem CID 11448091) has the molecular formula C14H22O2Si and a molecular weight of 250.41 g/mol. Its IUPAC name is ethyl (2E)-4-trimethylsilylnona-2,4,5,8-tetraenoate.

Molecular Properties

Compound Nameethyl (2E)-4-trimethylsilylnona-2,4,5,8-tetraenoate
PubChem CID11448091
Molecular FormulaC14H22O2Si
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Nameethyl (2E)-4-trimethylsilylnona-2,4,5,8-tetraenoate
SMILESC=CCC=C=C(/C=C/C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C14H22O2Si/c1-6-8-9-10-13(17(3,4)5)11-12-14(15)16-7-2/h6,9,11-12H,1,7-8H2,2-5H3/b12-11+
InChIKeyOJXVYLFFMKFJOT-VAWYXSNFSA-N
XLogP3.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2,4,7-decatrienoate
CID 3018771
2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester, (2E,4E)-
CID 58361202
2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester
CID 76734167
Ethyl 2,4,7-decatrienoate, (2E,4Z,7Z)-
CID 71587513
Ethyl 2,4,7-decatrienoate, (2E,4E,7Z)-
CID 71587096
ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 5468981
ethyl (2E)-3-trimethylsilylhexa-2,5-dienoate
CID 11845191
ethyl (E)-4-trimethylsilylbut-2-enoate
CID 13185411
methyl (2E,4E)-5-trimethylsilylpenta-2,4-dienoate
CID 14175468
3-[(E)-2-trimethylsilylethenyl]-2H-furan-5-one
CID 15261962
(E)-4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2-butenoic Acid Ethyl Ester
CID 10490523
ethyl 5-trimethylsilyl-(E)-2-penten-4-ynoate
CID 12398706

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-4-trimethylsilylnona-2,4,5,8-tetraenoate?
The IUPAC name of ethyl (2E)-4-trimethylsilylnona-2,4,5,8-tetraenoate (CID 11448091) is ethyl (2E)-4-trimethylsilylnona-2,4,5,8-tetraenoate.
What is the SMILES notation for ethyl (2E)-4-trimethylsilylnona-2,4,5,8-tetraenoate?
The canonical SMILES for ethyl (2E)-4-trimethylsilylnona-2,4,5,8-tetraenoate is C=CCC=C=C(/C=C/C(=O)OCC)[Si](C)(C)C.
What is the InChIKey of ethyl (2E)-4-trimethylsilylnona-2,4,5,8-tetraenoate?
The InChIKey is OJXVYLFFMKFJOT-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H22O2Si/c1-6-8-9-10-13(17(3,4)5)11-12-14(15)16-7-2/h6,9,11-12H,1,7-8H2,2-5H3/b12-11+.
What are the key properties of ethyl (2E)-4-trimethylsilylnona-2,4,5,8-tetraenoate?
ethyl (2E)-4-trimethylsilylnona-2,4,5,8-tetraenoate has a molecular weight of 250.41 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-4-trimethylsilylnona-2,4,5,8-tetraenoate is sourced from PubChem (CID 11448091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).