dodec-1-en-3-yl 1,1,1,3,3,3-hexafluoropropan-2-yl carbonate

C16H24F6O3 — CID 101251049

IUPACdodec-1-en-3-yl 1,1,1,3,3,3-hexafluoropropan-2-yl carbonate
SMILESC=CC(CCCCCCCCC)OC(=O)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H24F6O3/c1-3-5-6-7-8-9-10-11-12(4-2)24-14(23)25-13(15(17,18)19)16(20,21)22/h4,12-13H,2-3,5-11H2,1H3
InChIKeyVFVPYAYKTKMCNZ-UHFFFAOYSA-N
MW378.35 g/mol
LogP6.33
Rot. Bonds11

About dodec-1-en-3-yl 1,1,1,3,3,3-hexafluoropropan-2-yl carbonate

dodec-1-en-3-yl 1,1,1,3,3,3-hexafluoropropan-2-yl carbonate (PubChem CID 101251049) has the molecular formula C16H24F6O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is dodec-1-en-3-yl 1,1,1,3,3,3-hexafluoropropan-2-yl carbonate.

Molecular Properties

Compound Namedodec-1-en-3-yl 1,1,1,3,3,3-hexafluoropropan-2-yl carbonate
PubChem CID101251049
Molecular FormulaC16H24F6O3
Molecular Weight378.35 g/mol
Exact Mass378.16
IUPAC Namedodec-1-en-3-yl 1,1,1,3,3,3-hexafluoropropan-2-yl carbonate
SMILESC=CC(CCCCCCCCC)OC(=O)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H24F6O3/c1-3-5-6-7-8-9-10-11-12(4-2)24-14(23)25-13(15(17,18)19)16(20,21)22/h4,12-13H,2-3,5-11H2,1H3
InChIKeyVFVPYAYKTKMCNZ-UHFFFAOYSA-N
XLogP6.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.35
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(6S)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyloxy)oct-7-enyl] acetate
CID 134889183
[(3S)-dodec-1-en-3-yl] 1,1,1,3,3,3-hexafluoropropan-2-yl carbonate
CID 134889383
[(3S)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] 1,1,1,3,3,3-hexafluoropropan-2-yl carbonate
CID 134889507
Methyl non-1-en-3-yl carbonate
CID 102291111
(7R)-3-[2,2-difluoro-1-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]-7-fluorooct-1-ene
CID 54392831
Dodec-1-en-3-yl trifluoroacetate
CID 71364729
8-[Tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl 1,1,1,3,3,3-hexafluoropropan-2-yl carbonate
CID 101251054
6-(1,1,1,3,3,3-Hexafluoropropan-2-yloxycarbonyloxy)oct-7-enyl acetate
CID 101251055
Dec-1-en-3-yl methyl carbonate
CID 85541499
Methyl undec-1-en-3-yl carbonate
CID 86041216
Ethyl undec-1-en-3-yl carbonate
CID 88058965
2-Methylpropyl undec-1-en-3-yl carbonate
CID 88565354

Frequently Asked Questions

What is the IUPAC name of dodec-1-en-3-yl 1,1,1,3,3,3-hexafluoropropan-2-yl carbonate?
The IUPAC name of dodec-1-en-3-yl 1,1,1,3,3,3-hexafluoropropan-2-yl carbonate (CID 101251049) is dodec-1-en-3-yl 1,1,1,3,3,3-hexafluoropropan-2-yl carbonate.
What is the SMILES notation for dodec-1-en-3-yl 1,1,1,3,3,3-hexafluoropropan-2-yl carbonate?
The canonical SMILES for dodec-1-en-3-yl 1,1,1,3,3,3-hexafluoropropan-2-yl carbonate is C=CC(CCCCCCCCC)OC(=O)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of dodec-1-en-3-yl 1,1,1,3,3,3-hexafluoropropan-2-yl carbonate?
The InChIKey is VFVPYAYKTKMCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F6O3/c1-3-5-6-7-8-9-10-11-12(4-2)24-14(23)25-13(15(17,18)19)16(20,21)22/h4,12-13H,2-3,5-11H2,1H3.
What are the key properties of dodec-1-en-3-yl 1,1,1,3,3,3-hexafluoropropan-2-yl carbonate?
dodec-1-en-3-yl 1,1,1,3,3,3-hexafluoropropan-2-yl carbonate has a molecular weight of 378.35 g/mol, XLogP of 6.33, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-1-en-3-yl 1,1,1,3,3,3-hexafluoropropan-2-yl carbonate is sourced from PubChem (CID 101251049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).