[(Z)-7-(trimethylsilylmethyl)dodec-7-en-6-yl] acetate

C18H36O2Si — CID 10403264

IUPAC[(Z)-7-(trimethylsilylmethyl)dodec-7-en-6-yl] acetate
SMILESCCCC/C=C(\C[Si](C)(C)C)C(CCCCC)OC(C)=O
InChIInChI=1S/C18H36O2Si/c1-7-9-11-13-17(15-21(4,5)6)18(20-16(3)19)14-12-10-8-2/h13,18H,7-12,14-15H2,1-6H3/b17-13+
InChIKeyUTRZPJZWMMTCGW-GHRIWEEISA-N
MW312.57 g/mol
LogP5.95
Rot. Bonds11

About [(Z)-7-(trimethylsilylmethyl)dodec-7-en-6-yl] acetate

[(Z)-7-(trimethylsilylmethyl)dodec-7-en-6-yl] acetate (PubChem CID 10403264) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is [(Z)-7-(trimethylsilylmethyl)dodec-7-en-6-yl] acetate.

Molecular Properties

Compound Name[(Z)-7-(trimethylsilylmethyl)dodec-7-en-6-yl] acetate
PubChem CID10403264
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name[(Z)-7-(trimethylsilylmethyl)dodec-7-en-6-yl] acetate
SMILESCCCC/C=C(\C[Si](C)(C)C)C(CCCCC)OC(C)=O
InChIInChI=1S/C18H36O2Si/c1-7-9-11-13-17(15-21(4,5)6)18(20-16(3)19)14-12-10-8-2/h13,18H,7-12,14-15H2,1-6H3/b17-13+
InChIKeyUTRZPJZWMMTCGW-GHRIWEEISA-N
XLogP5.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.95
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

[(2E,5E)-3-acetyloxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-dienyl] acetate
CID 134971110
(E)-tert-Butyl 11-(tert-butyldimethylsilyloxy)-2-undecenoate
CID 24859311
4-dodecyl-5-ethyl-2(5H)-furanone
CID 3844766
[(1S)-3-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl] acetate
CID 10966588
methyl (E)-11-[tert-butyl(dimethyl)silyl]oxy-2-methylundec-2-enoate
CID 11772258
[(2Z,5E)-3-(4-triethylsilylbuta-1,3-diynyl)trideca-2,5-dienyl] acetate
CID 16720381
2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-4-methyl-3-prop-2-enyl-2H-furan-5-one
CID 44817643
methyl (E)-3-propyl-4-triethylsilyloxydec-2-enoate
CID 71486540
methyl (Z)-11-[tert-butyl(dimethyl)silyl]oxy-2-methylundec-2-enoate
CID 101049472
[(E)-1-triethylsilyldec-1-en-3-yl] acetate
CID 101544369
Methyl (2e,5s)-5-{[t-butyl(dimethyl)silyl]-oxy}hexadec-2-enoate
CID 129759001
methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-2-enoate
CID 134846818

Frequently Asked Questions

What is the IUPAC name of [(Z)-7-(trimethylsilylmethyl)dodec-7-en-6-yl] acetate?
The IUPAC name of [(Z)-7-(trimethylsilylmethyl)dodec-7-en-6-yl] acetate (CID 10403264) is [(Z)-7-(trimethylsilylmethyl)dodec-7-en-6-yl] acetate.
What is the SMILES notation for [(Z)-7-(trimethylsilylmethyl)dodec-7-en-6-yl] acetate?
The canonical SMILES for [(Z)-7-(trimethylsilylmethyl)dodec-7-en-6-yl] acetate is CCCC/C=C(\C[Si](C)(C)C)C(CCCCC)OC(C)=O.
What is the InChIKey of [(Z)-7-(trimethylsilylmethyl)dodec-7-en-6-yl] acetate?
The InChIKey is UTRZPJZWMMTCGW-GHRIWEEISA-N. The full InChI is InChI=1S/C18H36O2Si/c1-7-9-11-13-17(15-21(4,5)6)18(20-16(3)19)14-12-10-8-2/h13,18H,7-12,14-15H2,1-6H3/b17-13+.
What are the key properties of [(Z)-7-(trimethylsilylmethyl)dodec-7-en-6-yl] acetate?
[(Z)-7-(trimethylsilylmethyl)dodec-7-en-6-yl] acetate has a molecular weight of 312.57 g/mol, XLogP of 5.95, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-7-(trimethylsilylmethyl)dodec-7-en-6-yl] acetate is sourced from PubChem (CID 10403264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).