methyl (2E,7Z)-9-methyl-10-trimethylsilyldeca-2,7-dienoate

C15H28O2Si — CID 14617537

IUPACmethyl (2E,7Z)-9-methyl-10-trimethylsilyldeca-2,7-dienoate
SMILESCOC(=O)/C=C/CCC/C=C\C(C)C[Si](C)(C)C
InChIInChI=1S/C15H28O2Si/c1-14(13-18(3,4)5)11-9-7-6-8-10-12-15(16)17-2/h9-12,14H,6-8,13H2,1-5H3/b11-9-,12-10+
InChIKeyWPSWRRDZTJKZBF-DSOJMZEYSA-N
MW268.47 g/mol
LogP4.42
Rot. Bonds8

About methyl (2E,7Z)-9-methyl-10-trimethylsilyldeca-2,7-dienoate

methyl (2E,7Z)-9-methyl-10-trimethylsilyldeca-2,7-dienoate (PubChem CID 14617537) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is methyl (2E,7Z)-9-methyl-10-trimethylsilyldeca-2,7-dienoate.

Molecular Properties

Compound Namemethyl (2E,7Z)-9-methyl-10-trimethylsilyldeca-2,7-dienoate
PubChem CID14617537
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Namemethyl (2E,7Z)-9-methyl-10-trimethylsilyldeca-2,7-dienoate
SMILESCOC(=O)/C=C/CCC/C=C\C(C)C[Si](C)(C)C
InChIInChI=1S/C15H28O2Si/c1-14(13-18(3,4)5)11-9-7-6-8-10-12-15(16)17-2/h9-12,14H,6-8,13H2,1-5H3/b11-9-,12-10+
InChIKeyWPSWRRDZTJKZBF-DSOJMZEYSA-N
XLogP4.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl (2E,7Z)-9-methyl-10-trimethylsilyldeca-2,7-dienoate with MolForge

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Related Compounds

ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 5468981
methyl (2Z)-7-methyl-3-(trimethylsilylmethyl)octa-2,6-dienoate
CID 11010538
ethyl (2E)-3-trimethylsilylhexa-2,5-dienoate
CID 11845191
methyl (Z)-2-trimethylsilylhept-2-enoate
CID 12715300
methyl (E)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 13838010
methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 13838011
methyl (2E,7Z)-10-trimethylsilylundeca-2,7-dienoate
CID 14617535
methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 134907379
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
(E)-ethyl 6-(tert-butyldimethylsilyloxy)hex-2-enoate
CID 10826090
Methyl (2E)-7-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-heptenoate
CID 11208037
(E)-5-(tert-butyl-dimethyl-silanyloxy)-pent-2-enoic acid methyl ester
CID 11630130

Frequently Asked Questions

What is the IUPAC name of methyl (2E,7Z)-9-methyl-10-trimethylsilyldeca-2,7-dienoate?
The IUPAC name of methyl (2E,7Z)-9-methyl-10-trimethylsilyldeca-2,7-dienoate (CID 14617537) is methyl (2E,7Z)-9-methyl-10-trimethylsilyldeca-2,7-dienoate.
What is the SMILES notation for methyl (2E,7Z)-9-methyl-10-trimethylsilyldeca-2,7-dienoate?
The canonical SMILES for methyl (2E,7Z)-9-methyl-10-trimethylsilyldeca-2,7-dienoate is COC(=O)/C=C/CCC/C=C\C(C)C[Si](C)(C)C.
What is the InChIKey of methyl (2E,7Z)-9-methyl-10-trimethylsilyldeca-2,7-dienoate?
The InChIKey is WPSWRRDZTJKZBF-DSOJMZEYSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-14(13-18(3,4)5)11-9-7-6-8-10-12-15(16)17-2/h9-12,14H,6-8,13H2,1-5H3/b11-9-,12-10+.
What are the key properties of methyl (2E,7Z)-9-methyl-10-trimethylsilyldeca-2,7-dienoate?
methyl (2E,7Z)-9-methyl-10-trimethylsilyldeca-2,7-dienoate has a molecular weight of 268.47 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,7Z)-9-methyl-10-trimethylsilyldeca-2,7-dienoate is sourced from PubChem (CID 14617537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).