[tert-butyl(dimethyl)silyl] (Z)-dodec-5-enoate

C18H36O2Si — CID 91738891

IUPAC[tert-butyl(dimethyl)silyl] (Z)-dodec-5-enoate
SMILESCCCCCC/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O2Si/c1-7-8-9-10-11-12-13-14-15-16-17(19)20-21(5,6)18(2,3)4/h12-13H,7-11,14-16H2,1-6H3/b13-12-
InChIKeyHUYCCQHOYGOAMQ-SEYXRHQNSA-N
MW312.57 g/mol
LogP6.23
Rot. Bonds10

About [tert-butyl(dimethyl)silyl] (Z)-dodec-5-enoate

[tert-butyl(dimethyl)silyl] (Z)-dodec-5-enoate (PubChem CID 91738891) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] (Z)-dodec-5-enoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] (Z)-dodec-5-enoate
PubChem CID91738891
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name[tert-butyl(dimethyl)silyl] (Z)-dodec-5-enoate
SMILESCCCCCC/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O2Si/c1-7-8-9-10-11-12-13-14-15-16-17(19)20-21(5,6)18(2,3)4/h12-13H,7-11,14-16H2,1-6H3/b13-12-
InChIKeyHUYCCQHOYGOAMQ-SEYXRHQNSA-N
XLogP6.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 56.23
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'}

Analyze [tert-butyl(dimethyl)silyl] (Z)-dodec-5-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] (Z)-dodec-5-enoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] (Z)-dodec-5-enoate (CID 91738891) is [tert-butyl(dimethyl)silyl] (Z)-dodec-5-enoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] (Z)-dodec-5-enoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] (Z)-dodec-5-enoate is CCCCCC/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] (Z)-dodec-5-enoate?
The InChIKey is HUYCCQHOYGOAMQ-SEYXRHQNSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-7-8-9-10-11-12-13-14-15-16-17(19)20-21(5,6)18(2,3)4/h12-13H,7-11,14-16H2,1-6H3/b13-12-.
What are the key properties of [tert-butyl(dimethyl)silyl] (Z)-dodec-5-enoate?
[tert-butyl(dimethyl)silyl] (Z)-dodec-5-enoate has a molecular weight of 312.57 g/mol, XLogP of 6.23, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] (Z)-dodec-5-enoate is sourced from PubChem (CID 91738891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).