2-(trimethylsilylmethyl)dodec-1-en-5-yl acetate

C18H36O2Si — CID 12841784

IUPAC2-(trimethylsilylmethyl)dodec-1-en-5-yl acetate
SMILESC=C(CCC(CCCCCCC)OC(C)=O)C[Si](C)(C)C
InChIInChI=1S/C18H36O2Si/c1-7-8-9-10-11-12-18(20-17(3)19)14-13-16(2)15-21(4,5)6/h18H,2,7-15H2,1,3-6H3
InChIKeyFOSFIQZUEQAFQR-UHFFFAOYSA-N
MW312.57 g/mol
LogP5.95
Rot. Bonds12

About 2-(trimethylsilylmethyl)dodec-1-en-5-yl acetate

2-(trimethylsilylmethyl)dodec-1-en-5-yl acetate (PubChem CID 12841784) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is 2-(trimethylsilylmethyl)dodec-1-en-5-yl acetate.

Molecular Properties

Compound Name2-(trimethylsilylmethyl)dodec-1-en-5-yl acetate
PubChem CID12841784
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name2-(trimethylsilylmethyl)dodec-1-en-5-yl acetate
SMILESC=C(CCC(CCCCCCC)OC(C)=O)C[Si](C)(C)C
InChIInChI=1S/C18H36O2Si/c1-7-8-9-10-11-12-18(20-17(3)19)14-13-16(2)15-21(4,5)6/h18H,2,7-15H2,1,3-6H3
InChIKeyFOSFIQZUEQAFQR-UHFFFAOYSA-N
XLogP5.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
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 2-(trimethylsilylmethyl)dodec-1-en-5-yl acetate?
The IUPAC name of 2-(trimethylsilylmethyl)dodec-1-en-5-yl acetate (CID 12841784) is 2-(trimethylsilylmethyl)dodec-1-en-5-yl acetate.
What is the SMILES notation for 2-(trimethylsilylmethyl)dodec-1-en-5-yl acetate?
The canonical SMILES for 2-(trimethylsilylmethyl)dodec-1-en-5-yl acetate is C=C(CCC(CCCCCCC)OC(C)=O)C[Si](C)(C)C.
What is the InChIKey of 2-(trimethylsilylmethyl)dodec-1-en-5-yl acetate?
The InChIKey is FOSFIQZUEQAFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-7-8-9-10-11-12-18(20-17(3)19)14-13-16(2)15-21(4,5)6/h18H,2,7-15H2,1,3-6H3.
What are the key properties of 2-(trimethylsilylmethyl)dodec-1-en-5-yl acetate?
2-(trimethylsilylmethyl)dodec-1-en-5-yl acetate has a molecular weight of 312.57 g/mol, XLogP of 5.95, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trimethylsilylmethyl)dodec-1-en-5-yl acetate is sourced from PubChem (CID 12841784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).