methyl (E)-3-[dimethyl(phenyl)silyl]hept-2-enoate

C16H24O2Si — CID 134861981

IUPACmethyl (E)-3-[dimethyl(phenyl)silyl]hept-2-enoate
SMILESCCCC/C(=C\C(=O)OC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C16H24O2Si/c1-5-6-10-15(13-16(17)18-2)19(3,4)14-11-8-7-9-12-14/h7-9,11-13H,5-6,10H2,1-4H3/b15-13+
InChIKeyMPOIWTIFVNDCRD-FYWRMAATSA-N
MW276.45 g/mol
LogP3.43
Rot. Bonds6

About methyl (E)-3-[dimethyl(phenyl)silyl]hept-2-enoate

methyl (E)-3-[dimethyl(phenyl)silyl]hept-2-enoate (PubChem CID 134861981) has the molecular formula C16H24O2Si and a molecular weight of 276.45 g/mol. Its IUPAC name is methyl (E)-3-[dimethyl(phenyl)silyl]hept-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[dimethyl(phenyl)silyl]hept-2-enoate
PubChem CID134861981
Molecular FormulaC16H24O2Si
Molecular Weight276.45 g/mol
Exact Mass276.15
IUPAC Namemethyl (E)-3-[dimethyl(phenyl)silyl]hept-2-enoate
SMILESCCCC/C(=C\C(=O)OC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C16H24O2Si/c1-5-6-10-15(13-16(17)18-2)19(3,4)14-11-8-7-9-12-14/h7-9,11-13H,5-6,10H2,1-4H3/b15-13+
InChIKeyMPOIWTIFVNDCRD-FYWRMAATSA-N
XLogP3.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.43
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'}

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Related Compounds

octyl (Z)-3-[dimethyl(phenyl)silyl]but-2-enoate
CID 102185798
[(E)-dodec-6-en-6-yl]-dimethyl-phenylsilane
CID 13481056
[(3Z)-dodeca-1,3-dien-4-yl]-dimethyl-phenylsilane
CID 101095442
methyl 3-iodohept-2-enoate
CID 71346581
(E)-4-[dimethyl(phenyl)silyl]dec-3-en-2-ol
CID 10779898
dimethyl-[(Z)-1-(4-methylphenyl)sulfonyloct-1-en-2-yl]-phenylsilane
CID 135057520
1-[dimethyl(phenyl)silyl]butan-1-one
CID 10822186
ethyl (E)-3-[dimethyl(phenyl)silyl]-5-phenylpent-3-enoate
CID 135062042
methyl (Z)-3-iodooct-2-enoate
CID 6421671
ethyl (E)-2-[dimethyl(phenyl)silyl]-3-trimethylsilylprop-2-enoate
CID 138983143
dimethyl (E)-2,3-bis[dimethyl(phenyl)silyl]but-2-enedioate
CID 101127569
methyl 3-hydroxyoct-2-enoate
CID 139933241

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[dimethyl(phenyl)silyl]hept-2-enoate?
The IUPAC name of methyl (E)-3-[dimethyl(phenyl)silyl]hept-2-enoate (CID 134861981) is methyl (E)-3-[dimethyl(phenyl)silyl]hept-2-enoate.
What is the SMILES notation for methyl (E)-3-[dimethyl(phenyl)silyl]hept-2-enoate?
The canonical SMILES for methyl (E)-3-[dimethyl(phenyl)silyl]hept-2-enoate is CCCC/C(=C\C(=O)OC)[Si](C)(C)c1ccccc1.
What is the InChIKey of methyl (E)-3-[dimethyl(phenyl)silyl]hept-2-enoate?
The InChIKey is MPOIWTIFVNDCRD-FYWRMAATSA-N. The full InChI is InChI=1S/C16H24O2Si/c1-5-6-10-15(13-16(17)18-2)19(3,4)14-11-8-7-9-12-14/h7-9,11-13H,5-6,10H2,1-4H3/b15-13+.
What are the key properties of methyl (E)-3-[dimethyl(phenyl)silyl]hept-2-enoate?
methyl (E)-3-[dimethyl(phenyl)silyl]hept-2-enoate has a molecular weight of 276.45 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[dimethyl(phenyl)silyl]hept-2-enoate is sourced from PubChem (CID 134861981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).