methyl (2E,4E,6E,8E)-9-phenyl-6-trimethylsilylnona-2,4,6,8-tetraenoate

C19H24O2Si — CID 177492628

IUPACmethyl (2E,4E,6E,8E)-9-phenyl-6-trimethylsilylnona-2,4,6,8-tetraenoate
SMILESCOC(=O)/C=C/C=C/C(=C\C=C\c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C19H24O2Si/c1-21-19(20)16-9-8-14-18(22(2,3)4)15-10-13-17-11-6-5-7-12-17/h5-16H,1-4H3/b13-10+,14-8+,16-9+,18-15+
InChIKeyZFVBRUJQSHTLED-BWMIGYOZSA-N
MW312.49 g/mol
LogP4.79
Rot. Bonds6

About methyl (2E,4E,6E,8E)-9-phenyl-6-trimethylsilylnona-2,4,6,8-tetraenoate

methyl (2E,4E,6E,8E)-9-phenyl-6-trimethylsilylnona-2,4,6,8-tetraenoate (PubChem CID 177492628) has the molecular formula C19H24O2Si and a molecular weight of 312.49 g/mol. Its IUPAC name is methyl (2E,4E,6E,8E)-9-phenyl-6-trimethylsilylnona-2,4,6,8-tetraenoate.

Molecular Properties

Compound Namemethyl (2E,4E,6E,8E)-9-phenyl-6-trimethylsilylnona-2,4,6,8-tetraenoate
PubChem CID177492628
Molecular FormulaC19H24O2Si
Molecular Weight312.49 g/mol
Exact Mass312.15
IUPAC Namemethyl (2E,4E,6E,8E)-9-phenyl-6-trimethylsilylnona-2,4,6,8-tetraenoate
SMILESCOC(=O)/C=C/C=C/C(=C\C=C\c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C19H24O2Si/c1-21-19(20)16-9-8-14-18(22(2,3)4)15-10-13-17-11-6-5-7-12-17/h5-16H,1-4H3/b13-10+,14-8+,16-9+,18-15+
InChIKeyZFVBRUJQSHTLED-BWMIGYOZSA-N
XLogP4.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.49
LogP ≤ 54.79
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'}

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Related Compounds

furan-2,5-dione;methyl 5-phenylpenta-2,4-dienoate
CID 157407947
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
cyclopropane;methyl 5-(4-phenylphenyl)penta-2,4-dienoate
CID 88841794
(3Z,5E)-3-methoxy-6-phenylhexa-3,5-dien-2-one
CID 101120530
methyl 4-oxo-6-phenylhexa-2,5-dienoate
CID 57362438
methyl (2Z,4E)-5-(3-hydroxyphenyl)penta-2,4-dienoate
CID 115023302
methyl (2E,4Z)-5-(4-bromophenyl)penta-2,4-dienoate
CID 92525134
methyl (2Z,4E)-5-(4-fluorophenyl)penta-2,4-dienoate
CID 115024471
trimethyl-(4-phenyl-1-trimethylsilylbuta-1,3-dienyl)silane
CID 71383002
ethyl (4E)-5-phenylpenta-2,4-dienoate
CID 173106795
dimethyl benzene-1,2-dicarboxylate;methyl (E)-3-phenylprop-2-enoate
CID 19966781
methyl (2Z)-5,5-diphenylpenta-2,4-dienoate
CID 92534378

Frequently Asked Questions

What is the IUPAC name of methyl (2E,4E,6E,8E)-9-phenyl-6-trimethylsilylnona-2,4,6,8-tetraenoate?
The IUPAC name of methyl (2E,4E,6E,8E)-9-phenyl-6-trimethylsilylnona-2,4,6,8-tetraenoate (CID 177492628) is methyl (2E,4E,6E,8E)-9-phenyl-6-trimethylsilylnona-2,4,6,8-tetraenoate.
What is the SMILES notation for methyl (2E,4E,6E,8E)-9-phenyl-6-trimethylsilylnona-2,4,6,8-tetraenoate?
The canonical SMILES for methyl (2E,4E,6E,8E)-9-phenyl-6-trimethylsilylnona-2,4,6,8-tetraenoate is COC(=O)/C=C/C=C/C(=C\C=C\c1ccccc1)[Si](C)(C)C.
What is the InChIKey of methyl (2E,4E,6E,8E)-9-phenyl-6-trimethylsilylnona-2,4,6,8-tetraenoate?
The InChIKey is ZFVBRUJQSHTLED-BWMIGYOZSA-N. The full InChI is InChI=1S/C19H24O2Si/c1-21-19(20)16-9-8-14-18(22(2,3)4)15-10-13-17-11-6-5-7-12-17/h5-16H,1-4H3/b13-10+,14-8+,16-9+,18-15+.
What are the key properties of methyl (2E,4E,6E,8E)-9-phenyl-6-trimethylsilylnona-2,4,6,8-tetraenoate?
methyl (2E,4E,6E,8E)-9-phenyl-6-trimethylsilylnona-2,4,6,8-tetraenoate has a molecular weight of 312.49 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4E,6E,8E)-9-phenyl-6-trimethylsilylnona-2,4,6,8-tetraenoate is sourced from PubChem (CID 177492628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).