methyl (E)-2-[benzyl(dimethyl)silyl]hept-2-enoate

C17H26O2Si — CID 102362371

IUPACmethyl (E)-2-[benzyl(dimethyl)silyl]hept-2-enoate
SMILESCCCC/C=C(\C(=O)OC)[Si](C)(C)Cc1ccccc1
InChIInChI=1S/C17H26O2Si/c1-5-6-8-13-16(17(18)19-2)20(3,4)14-15-11-9-7-10-12-15/h7,9-13H,5-6,8,14H2,1-4H3/b16-13+
InChIKeyCWXNLBLAWYFNNW-DTQAZKPQSA-N
MW290.48 g/mol
LogP4.31
Rot. Bonds7

About methyl (E)-2-[benzyl(dimethyl)silyl]hept-2-enoate

methyl (E)-2-[benzyl(dimethyl)silyl]hept-2-enoate (PubChem CID 102362371) has the molecular formula C17H26O2Si and a molecular weight of 290.48 g/mol. Its IUPAC name is methyl (E)-2-[benzyl(dimethyl)silyl]hept-2-enoate.

Molecular Properties

Compound Namemethyl (E)-2-[benzyl(dimethyl)silyl]hept-2-enoate
PubChem CID102362371
Molecular FormulaC17H26O2Si
Molecular Weight290.48 g/mol
Exact Mass290.17
IUPAC Namemethyl (E)-2-[benzyl(dimethyl)silyl]hept-2-enoate
SMILESCCCC/C=C(\C(=O)OC)[Si](C)(C)Cc1ccccc1
InChIInChI=1S/C17H26O2Si/c1-5-6-8-13-16(17(18)19-2)20(3,4)14-15-11-9-7-10-12-15/h7,9-13H,5-6,8,14H2,1-4H3/b16-13+
InChIKeyCWXNLBLAWYFNNW-DTQAZKPQSA-N
XLogP4.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 54.31
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-2-benzyloct-2-enoate
CID 11010254
methyl (E)-2-[ethoxy(dimethyl)silyl]hept-2-enoate
CID 125474214
methyl (Z)-2-(1-hydroxy-3-phenylpropyl)hept-2-enoate
CID 132595570
benzyl-dimethyl-[(Z)-pentadec-7-en-8-yl]silane
CID 122389340
methyl (E)-2-phenyloct-2-enoate
CID 13480316
methyl (Z)-2-phenyloct-2-enoate
CID 13480315
methyl (E)-2-(2-phenylethynyl)hept-2-enoate
CID 10083100
(E)-4-[benzyl(dimethyl)silyl]oct-3-en-1-ol
CID 15498888
methyl (E)-2-methyl-7-phenylhept-2-enoate
CID 10911424
benzyl 2-methyloct-2-enoate
CID 154247203
methyl (E)-2-methylhept-2-enoate
CID 13122847
methyl 2-[acetyloxy(phenyl)methyl]pentadec-2-enoate
CID 74953806

Frequently Asked Questions

What is the IUPAC name of methyl (E)-2-[benzyl(dimethyl)silyl]hept-2-enoate?
The IUPAC name of methyl (E)-2-[benzyl(dimethyl)silyl]hept-2-enoate (CID 102362371) is methyl (E)-2-[benzyl(dimethyl)silyl]hept-2-enoate.
What is the SMILES notation for methyl (E)-2-[benzyl(dimethyl)silyl]hept-2-enoate?
The canonical SMILES for methyl (E)-2-[benzyl(dimethyl)silyl]hept-2-enoate is CCCC/C=C(\C(=O)OC)[Si](C)(C)Cc1ccccc1.
What is the InChIKey of methyl (E)-2-[benzyl(dimethyl)silyl]hept-2-enoate?
The InChIKey is CWXNLBLAWYFNNW-DTQAZKPQSA-N. The full InChI is InChI=1S/C17H26O2Si/c1-5-6-8-13-16(17(18)19-2)20(3,4)14-15-11-9-7-10-12-15/h7,9-13H,5-6,8,14H2,1-4H3/b16-13+.
What are the key properties of methyl (E)-2-[benzyl(dimethyl)silyl]hept-2-enoate?
methyl (E)-2-[benzyl(dimethyl)silyl]hept-2-enoate has a molecular weight of 290.48 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-[benzyl(dimethyl)silyl]hept-2-enoate is sourced from PubChem (CID 102362371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).