methyl (E)-3-methyl-4-[(Z)-2-triethylsilyloxyethenyl]hept-2-enoate

C17H32O3Si — CID 134941361

IUPACmethyl (E)-3-methyl-4-[(Z)-2-triethylsilyloxyethenyl]hept-2-enoate
SMILESCCCC(/C=C\O[Si](CC)(CC)CC)/C(C)=C/C(=O)OC
InChIInChI=1S/C17H32O3Si/c1-7-11-16(15(5)14-17(18)19-6)12-13-20-21(8-2,9-3)10-4/h12-14,16H,7-11H2,1-6H3/b13-12-,15-14+
InChIKeyXTNWVDNJNHMELC-FSALDASDSA-N
MW312.53 g/mol
LogP5.06
Rot. Bonds10

About methyl (E)-3-methyl-4-[(Z)-2-triethylsilyloxyethenyl]hept-2-enoate

methyl (E)-3-methyl-4-[(Z)-2-triethylsilyloxyethenyl]hept-2-enoate (PubChem CID 134941361) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is methyl (E)-3-methyl-4-[(Z)-2-triethylsilyloxyethenyl]hept-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-methyl-4-[(Z)-2-triethylsilyloxyethenyl]hept-2-enoate
PubChem CID134941361
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Namemethyl (E)-3-methyl-4-[(Z)-2-triethylsilyloxyethenyl]hept-2-enoate
SMILESCCCC(/C=C\O[Si](CC)(CC)CC)/C(C)=C/C(=O)OC
InChIInChI=1S/C17H32O3Si/c1-7-11-16(15(5)14-17(18)19-6)12-13-20-21(8-2,9-3)10-4/h12-14,16H,7-11H2,1-6H3/b13-12-,15-14+
InChIKeyXTNWVDNJNHMELC-FSALDASDSA-N
XLogP5.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.53
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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 (2E,4E,8E,10E,14S)-7-[tert-butyl(dimethyl)silyl]oxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate
CID 10645825
ethyl (2E)-2-[7-[tert-butyl(dimethyl)silyl]oxy-7-methylcyclohept-3-en-1-ylidene]acetate
CID 10936244
ethyl (E,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enoate
CID 11197810
ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-enoate
CID 11403840
methyl (2E,4E,8E,10E,14S)-8,14-dimethyl-7-triethylsilyloxyhexadeca-2,4,8,10-tetraenoate
CID 11729487
ethyl (2E)-2-[(2E,7E,11E)-4-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethylcyclotetradeca-2,7,11-trien-1-ylidene]acetate
CID 12000508
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enoate
CID 14379849
ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enoate
CID 101211264
ethyl (E,5S)-5-[2-tri(propan-2-yl)silylethynyl]oct-2-enoate
CID 102307578
butyl (2E,4E)-8-ethyl-5-methyl-7-tri(propan-2-yl)silyloxydeca-2,4-dienoate
CID 102343988
Ethyl (2e,5s)-7-{[t-butyl(dimethyl)silyloxy]-methyl}-5-methylocta-2,7-dienoate
CID 129756222
ethyl (E,5R)-5-[2-tri(propan-2-yl)silylethynyl]oct-2-enoate
CID 134843633

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-methyl-4-[(Z)-2-triethylsilyloxyethenyl]hept-2-enoate?
The IUPAC name of methyl (E)-3-methyl-4-[(Z)-2-triethylsilyloxyethenyl]hept-2-enoate (CID 134941361) is methyl (E)-3-methyl-4-[(Z)-2-triethylsilyloxyethenyl]hept-2-enoate.
What is the SMILES notation for methyl (E)-3-methyl-4-[(Z)-2-triethylsilyloxyethenyl]hept-2-enoate?
The canonical SMILES for methyl (E)-3-methyl-4-[(Z)-2-triethylsilyloxyethenyl]hept-2-enoate is CCCC(/C=C\O[Si](CC)(CC)CC)/C(C)=C/C(=O)OC.
What is the InChIKey of methyl (E)-3-methyl-4-[(Z)-2-triethylsilyloxyethenyl]hept-2-enoate?
The InChIKey is XTNWVDNJNHMELC-FSALDASDSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-7-11-16(15(5)14-17(18)19-6)12-13-20-21(8-2,9-3)10-4/h12-14,16H,7-11H2,1-6H3/b13-12-,15-14+.
What are the key properties of methyl (E)-3-methyl-4-[(Z)-2-triethylsilyloxyethenyl]hept-2-enoate?
methyl (E)-3-methyl-4-[(Z)-2-triethylsilyloxyethenyl]hept-2-enoate has a molecular weight of 312.53 g/mol, XLogP of 5.06, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-methyl-4-[(Z)-2-triethylsilyloxyethenyl]hept-2-enoate is sourced from PubChem (CID 134941361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).