[(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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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).