methyl (Z)-2-(trimethylsilylmethyl)undec-2-enoate

C16H32O2Si — CID 11323594

IUPACmethyl (Z)-2-(trimethylsilylmethyl)undec-2-enoate
SMILESCCCCCCCC/C=C(\C[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C16H32O2Si/c1-6-7-8-9-10-11-12-13-15(16(17)18-2)14-19(3,4)5/h13H,6-12,14H2,1-5H3/b15-13+
InChIKeyFXIYIOHZLYDLIL-FYWRMAATSA-N
MW284.52 g/mol
LogP5.17
Rot. Bonds10

About methyl (Z)-2-(trimethylsilylmethyl)undec-2-enoate

methyl (Z)-2-(trimethylsilylmethyl)undec-2-enoate (PubChem CID 11323594) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is methyl (Z)-2-(trimethylsilylmethyl)undec-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-(trimethylsilylmethyl)undec-2-enoate
PubChem CID11323594
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Namemethyl (Z)-2-(trimethylsilylmethyl)undec-2-enoate
SMILESCCCCCCCC/C=C(\C[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C16H32O2Si/c1-6-7-8-9-10-11-12-13-15(16(17)18-2)14-19(3,4)5/h13H,6-12,14H2,1-5H3/b15-13+
InChIKeyFXIYIOHZLYDLIL-FYWRMAATSA-N
XLogP5.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.52
LogP ≤ 55.17
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (2Z)-7-methyl-3-(trimethylsilylmethyl)octa-2,6-dienoate
CID 11010538
CID 568047
CID 568047
methyl (2E)-2,10-dimethylundeca-2,10-dienoate
CID 12032274
methyl (2E)-2-methyl-2-dodecenoate
CID 24973910
Lauryl butyl methacrylate
CID 129722382
methyl (E)-11-[tert-butyl(dimethyl)silyl]oxy-2-methylundec-2-enoate
CID 11772258
methyl (E)-2-methyldec-2-enoate
CID 13172914
CID 86153059
CID 86153059
methyl (Z)-11-[tert-butyl(dimethyl)silyl]oxy-2-methylundec-2-enoate
CID 101049472
methyl (2Z)-2-methyl-3-trimethylsilylocta-2,7-dienoate
CID 101207969
ethyl (2E)-2-(3-hexyl-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene)acetate
CID 102186023
methyl (Z)-2-(trimethylgermylmethyl)undec-2-enoate
CID 102215517

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-(trimethylsilylmethyl)undec-2-enoate?
The IUPAC name of methyl (Z)-2-(trimethylsilylmethyl)undec-2-enoate (CID 11323594) is methyl (Z)-2-(trimethylsilylmethyl)undec-2-enoate.
What is the SMILES notation for methyl (Z)-2-(trimethylsilylmethyl)undec-2-enoate?
The canonical SMILES for methyl (Z)-2-(trimethylsilylmethyl)undec-2-enoate is CCCCCCCC/C=C(\C[Si](C)(C)C)C(=O)OC.
What is the InChIKey of methyl (Z)-2-(trimethylsilylmethyl)undec-2-enoate?
The InChIKey is FXIYIOHZLYDLIL-FYWRMAATSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-6-7-8-9-10-11-12-13-15(16(17)18-2)14-19(3,4)5/h13H,6-12,14H2,1-5H3/b15-13+.
What are the key properties of methyl (Z)-2-(trimethylsilylmethyl)undec-2-enoate?
methyl (Z)-2-(trimethylsilylmethyl)undec-2-enoate has a molecular weight of 284.52 g/mol, XLogP of 5.17, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-(trimethylsilylmethyl)undec-2-enoate is sourced from PubChem (CID 11323594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).