methyl (Z)-3-ethyl-2-trimethylsilyloct-3-enoate

C14H28O2Si — CID 71578825

IUPACmethyl (Z)-3-ethyl-2-trimethylsilyloct-3-enoate
SMILESCCCC/C=C(/CC)C(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C14H28O2Si/c1-7-9-10-11-12(8-2)13(14(15)16-3)17(4,5)6/h11,13H,7-10H2,1-6H3/b12-11-
InChIKeyZYURTZJKJKDCDH-QXMHVHEDSA-N
MW256.46 g/mol
LogP4.39
Rot. Bonds7

About methyl (Z)-3-ethyl-2-trimethylsilyloct-3-enoate

methyl (Z)-3-ethyl-2-trimethylsilyloct-3-enoate (PubChem CID 71578825) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is methyl (Z)-3-ethyl-2-trimethylsilyloct-3-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-ethyl-2-trimethylsilyloct-3-enoate
PubChem CID71578825
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Namemethyl (Z)-3-ethyl-2-trimethylsilyloct-3-enoate
SMILESCCCC/C=C(/CC)C(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C14H28O2Si/c1-7-9-10-11-12(8-2)13(14(15)16-3)17(4,5)6/h11,13H,7-10H2,1-6H3/b12-11-
InChIKeyZYURTZJKJKDCDH-QXMHVHEDSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.39
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Pentenoic acid, 4-[(trimethylsilyl)methyl]-, ethyl ester
CID 11020263
Methyl 3-trimethylsilylmethyl-3-cyclohexenecarboxylate
CID 12563461
5-Heptenoic acid, 6-methyl-, methyl ester
CID 557455
3-Pentenoic acid, 3-ethyl-, methyl ester
CID 5367666
methyl (E,3S)-4-methyl-3-trimethylsilylhex-4-enoate
CID 9990830
(E)-4-methyl-6-trimethylsilylhex-4-enoic acid
CID 14190140
Methyl 3-(1,1-dimethyl-2,5-dihydrosilol-3-yl)propanoate
CID 44597122
methyl (Z)-3-methyl-2-trimethylsilyltridec-3-enoate
CID 71578822
methyl (Z)-3-methyl-2-trimethylsilyloct-3-enoate
CID 102203794
methyl (Z)-3-tert-butyl-2-trimethylsilyloct-3-enoate
CID 102203800
Methyl 4,8-dimethylnona-4,8-dienoate
CID 129749403
Methyl 4,8-dimethyldeca-4,8-dienoate
CID 129749472

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-ethyl-2-trimethylsilyloct-3-enoate?
The IUPAC name of methyl (Z)-3-ethyl-2-trimethylsilyloct-3-enoate (CID 71578825) is methyl (Z)-3-ethyl-2-trimethylsilyloct-3-enoate.
What is the SMILES notation for methyl (Z)-3-ethyl-2-trimethylsilyloct-3-enoate?
The canonical SMILES for methyl (Z)-3-ethyl-2-trimethylsilyloct-3-enoate is CCCC/C=C(/CC)C(C(=O)OC)[Si](C)(C)C.
What is the InChIKey of methyl (Z)-3-ethyl-2-trimethylsilyloct-3-enoate?
The InChIKey is ZYURTZJKJKDCDH-QXMHVHEDSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-7-9-10-11-12(8-2)13(14(15)16-3)17(4,5)6/h11,13H,7-10H2,1-6H3/b12-11-.
What are the key properties of methyl (Z)-3-ethyl-2-trimethylsilyloct-3-enoate?
methyl (Z)-3-ethyl-2-trimethylsilyloct-3-enoate has a molecular weight of 256.46 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-ethyl-2-trimethylsilyloct-3-enoate is sourced from PubChem (CID 71578825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).