methyl (2E,7Z)-10-trimethylsilylundeca-2,7-dienoate

C15H28O2Si — CID 14617535

IUPACmethyl (2E,7Z)-10-trimethylsilylundeca-2,7-dienoate
SMILESCOC(=O)/C=C/CCC/C=C\CC(C)[Si](C)(C)C
InChIInChI=1S/C15H28O2Si/c1-14(18(3,4)5)12-10-8-6-7-9-11-13-15(16)17-2/h8,10-11,13-14H,6-7,9,12H2,1-5H3/b10-8-,13-11+
InChIKeyKYODDWXNNWZMHM-NGIPKDTLSA-N
MW268.47 g/mol
LogP4.56
Rot. Bonds8

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

methyl (2E,7Z)-10-trimethylsilylundeca-2,7-dienoate (PubChem CID 14617535) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is methyl (2E,7Z)-10-trimethylsilylundeca-2,7-dienoate.

Molecular Properties

Compound Namemethyl (2E,7Z)-10-trimethylsilylundeca-2,7-dienoate
PubChem CID14617535
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Namemethyl (2E,7Z)-10-trimethylsilylundeca-2,7-dienoate
SMILESCOC(=O)/C=C/CCC/C=C\CC(C)[Si](C)(C)C
InChIInChI=1S/C15H28O2Si/c1-14(18(3,4)5)12-10-8-6-7-9-11-13-15(16)17-2/h8,10-11,13-14H,6-7,9,12H2,1-5H3/b10-8-,13-11+
InChIKeyKYODDWXNNWZMHM-NGIPKDTLSA-N
XLogP4.56
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 ≤ 54.56
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'}

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Related Compounds

Ethyl (E)-2-heptenoate
CID 5358363
Methyl 2-nonenoate
CID 5368076
Methyl oct-2-enoate
CID 5364532
2-Octenoic acid, methyl ester
CID 61313
2-Octenoic acid, methyl ester, (2Z)-
CID 11040937
Methyl (Z)-2-nonenoate
CID 5357388
Methyl 2-heptenoate
CID 5368087
Nonenoic acid, methyl ester
CID 8136
Methyl (2E,6Z)-dodeca-2,6-dienoate
CID 6438202
2,6-Nonadienoic acid methyl ester
CID 85560924
Ethyl (Z)-2-heptenoate
CID 5358358
methyl (2E,4E)-2,4-nonadienoate
CID 12625773

Frequently Asked Questions

What is the IUPAC name of methyl (2E,7Z)-10-trimethylsilylundeca-2,7-dienoate?
The IUPAC name of methyl (2E,7Z)-10-trimethylsilylundeca-2,7-dienoate (CID 14617535) is methyl (2E,7Z)-10-trimethylsilylundeca-2,7-dienoate.
What is the SMILES notation for methyl (2E,7Z)-10-trimethylsilylundeca-2,7-dienoate?
The canonical SMILES for methyl (2E,7Z)-10-trimethylsilylundeca-2,7-dienoate is COC(=O)/C=C/CCC/C=C\CC(C)[Si](C)(C)C.
What is the InChIKey of methyl (2E,7Z)-10-trimethylsilylundeca-2,7-dienoate?
The InChIKey is KYODDWXNNWZMHM-NGIPKDTLSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-14(18(3,4)5)12-10-8-6-7-9-11-13-15(16)17-2/h8,10-11,13-14H,6-7,9,12H2,1-5H3/b10-8-,13-11+.
What are the key properties of methyl (2E,7Z)-10-trimethylsilylundeca-2,7-dienoate?
methyl (2E,7Z)-10-trimethylsilylundeca-2,7-dienoate has a molecular weight of 268.47 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,7Z)-10-trimethylsilylundeca-2,7-dienoate is sourced from PubChem (CID 14617535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).