methyl (E)-6-triethylsilylhex-5-enoate

C13H26O2Si — CID 164665111

IUPACmethyl (E)-6-triethylsilylhex-5-enoate
SMILESCC[Si](/C=C/CCCC(=O)OC)(CC)CC
InChIInChI=1S/C13H26O2Si/c1-5-16(6-2,7-3)12-10-8-9-11-13(14)15-4/h10,12H,5-9,11H2,1-4H3/b12-10+
InChIKeyFLYPBRBLWKFARL-ZRDIBKRKSA-N
MW242.43 g/mol
LogP3.93
Rot. Bonds8

About methyl (E)-6-triethylsilylhex-5-enoate

methyl (E)-6-triethylsilylhex-5-enoate (PubChem CID 164665111) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is methyl (E)-6-triethylsilylhex-5-enoate.

Molecular Properties

Compound Namemethyl (E)-6-triethylsilylhex-5-enoate
PubChem CID164665111
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Namemethyl (E)-6-triethylsilylhex-5-enoate
SMILESCC[Si](/C=C/CCCC(=O)OC)(CC)CC
InChIInChI=1S/C13H26O2Si/c1-5-16(6-2,7-3)12-10-8-9-11-13(14)15-4/h10,12H,5-9,11H2,1-4H3/b12-10+
InChIKeyFLYPBRBLWKFARL-ZRDIBKRKSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.93
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'}

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Related Compounds

Methyl 3-(trimethylsilyl)-4-pentenoate
CID 3385579
4-Pentenoic acid, 4-[(trimethylsilyl)methyl]-, ethyl ester
CID 11020263
Tri(propan-2-yl)silyl pent-4-enoate
CID 10735566
methyl (E,3S)-4-methyl-3-trimethylsilylhex-4-enoate
CID 9990830
methyl (1R,2S,3R)-2-methyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
CID 11009266
methyl (E)-11-trimethylsilylundec-10-enoate
CID 13899182
Methyl 3-(1,1-dimethyl-2,5-dihydrosilol-3-yl)propanoate
CID 44597122
methyl (Z)-3-ethyl-2-trimethylsilyloct-3-enoate
CID 71578825
cis-methyl (1R,2R)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
CID 101400162
Methyl (e)-8-[t-butyl(dimethyl)silyloxy]oct-5-enoate
CID 132281217
methyl (3S)-3-[[tert-butyl(dimethyl)silyl]methyl]pent-4-enoate
CID 134893722
methyl (E,3S)-3-trimethylsilylhex-4-enoate
CID 134938980

Frequently Asked Questions

What is the IUPAC name of methyl (E)-6-triethylsilylhex-5-enoate?
The IUPAC name of methyl (E)-6-triethylsilylhex-5-enoate (CID 164665111) is methyl (E)-6-triethylsilylhex-5-enoate.
What is the SMILES notation for methyl (E)-6-triethylsilylhex-5-enoate?
The canonical SMILES for methyl (E)-6-triethylsilylhex-5-enoate is CC[Si](/C=C/CCCC(=O)OC)(CC)CC.
What is the InChIKey of methyl (E)-6-triethylsilylhex-5-enoate?
The InChIKey is FLYPBRBLWKFARL-ZRDIBKRKSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-5-16(6-2,7-3)12-10-8-9-11-13(14)15-4/h10,12H,5-9,11H2,1-4H3/b12-10+.
What are the key properties of methyl (E)-6-triethylsilylhex-5-enoate?
methyl (E)-6-triethylsilylhex-5-enoate has a molecular weight of 242.43 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-6-triethylsilylhex-5-enoate is sourced from PubChem (CID 164665111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).