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

C13H26O2Si — CID 102203794

IUPACmethyl (Z)-3-methyl-2-trimethylsilyloct-3-enoate
SMILESCCCC/C=C(/C)C(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C13H26O2Si/c1-7-8-9-10-11(2)12(13(14)15-3)16(4,5)6/h10,12H,7-9H2,1-6H3/b11-10-
InChIKeyMIONFVLNGATTPR-KHPPLWFESA-N
MW242.43 g/mol
LogP4.00
Rot. Bonds6

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

methyl (Z)-3-methyl-2-trimethylsilyloct-3-enoate (PubChem CID 102203794) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is methyl (Z)-3-methyl-2-trimethylsilyloct-3-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-methyl-2-trimethylsilyloct-3-enoate
PubChem CID102203794
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Namemethyl (Z)-3-methyl-2-trimethylsilyloct-3-enoate
SMILESCCCC/C=C(/C)C(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C13H26O2Si/c1-7-8-9-10-11(2)12(13(14)15-3)16(4,5)6/h10,12H,7-9H2,1-6H3/b11-10-
InChIKeyMIONFVLNGATTPR-KHPPLWFESA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 54.00
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

AG-G-75877
CID 11769254
Methyl 5,9-dimethyl-4,8-decadienoate(E)
CID 13970123
Methyl 5,9-dimethyldeca-4,8-dienoate
CID 71346793
methyl (E,3S)-4-methyl-3-trimethylsilylhex-4-enoate
CID 9990830
methyl (E,7E)-7-(triethylsilylmethylidene)undec-4-enoate
CID 11393179
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-ethyl-2-trimethylsilyloct-3-enoate
CID 71578825
methyl (3Z)-3-methyl-2-trimethylsilyltetradeca-3,13-dienoate
CID 102203795
methyl (E)-3-methylnon-3-enoate
CID 121218626
Nerylmethylbutanoate
CID 129870657
Methyl (e)-8-[t-butyl(dimethyl)silyloxy]oct-5-enoate
CID 132281217

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-methyl-2-trimethylsilyloct-3-enoate?
The IUPAC name of methyl (Z)-3-methyl-2-trimethylsilyloct-3-enoate (CID 102203794) is methyl (Z)-3-methyl-2-trimethylsilyloct-3-enoate.
What is the SMILES notation for methyl (Z)-3-methyl-2-trimethylsilyloct-3-enoate?
The canonical SMILES for methyl (Z)-3-methyl-2-trimethylsilyloct-3-enoate is CCCC/C=C(/C)C(C(=O)OC)[Si](C)(C)C.
What is the InChIKey of methyl (Z)-3-methyl-2-trimethylsilyloct-3-enoate?
The InChIKey is MIONFVLNGATTPR-KHPPLWFESA-N. The full InChI is InChI=1S/C13H26O2Si/c1-7-8-9-10-11(2)12(13(14)15-3)16(4,5)6/h10,12H,7-9H2,1-6H3/b11-10-.
What are the key properties of methyl (Z)-3-methyl-2-trimethylsilyloct-3-enoate?
methyl (Z)-3-methyl-2-trimethylsilyloct-3-enoate has a molecular weight of 242.43 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-methyl-2-trimethylsilyloct-3-enoate is sourced from PubChem (CID 102203794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).