dec-1-ene;dodec-1-ene;tetradec-1-ene

C36H72 — CID 159177706

IUPACdec-1-ene;dodec-1-ene;tetradec-1-ene
SMILESC=CCCCCCCCC.C=CCCCCCCCCCC.C=CCCCCCCCCCCCC
InChIInChI=1S/C14H28.C12H24.C10H20/c1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-3-5-7-9-11-12-10-8-6-4-2;1-3-5-7-9-10-8-6-4-2/h3H,1,4-14H2,2H3;3H,1,4-12H2,2H3;3H,1,4-10H2,2H3
InChIKeyKMMJYDPVDTYQPH-UHFFFAOYSA-N
MW504.97 g/mol
LogP14.11
Rot. Bonds27

About dec-1-ene;dodec-1-ene;tetradec-1-ene

dec-1-ene;dodec-1-ene;tetradec-1-ene (PubChem CID 159177706) has the molecular formula C36H72 and a molecular weight of 504.97 g/mol. Its IUPAC name is dec-1-ene;dodec-1-ene;tetradec-1-ene.

Molecular Properties

Compound Namedec-1-ene;dodec-1-ene;tetradec-1-ene
PubChem CID159177706
Molecular FormulaC36H72
Molecular Weight504.97 g/mol
Exact Mass504.56
IUPAC Namedec-1-ene;dodec-1-ene;tetradec-1-ene
SMILESC=CCCCCCCCC.C=CCCCCCCCCCC.C=CCCCCCCCCCCCC
InChIInChI=1S/C14H28.C12H24.C10H20/c1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-3-5-7-9-11-12-10-8-6-4-2;1-3-5-7-9-10-8-6-4-2/h3H,1,4-14H2,2H3;3H,1,4-12H2,2H3;3H,1,4-10H2,2H3
InChIKeyKMMJYDPVDTYQPH-UHFFFAOYSA-N
XLogP14.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds27
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.97
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadec-1-ene;tetradec-1-ene
CID 158470925
octadecane;octadec-1-ene
CID 162018238
dec-1-ene;ethene
CID 161044144
oct-1-ene;tetrahydrochloride
CID 172847494
oct-1-ene;hydrobromide
CID 88838560
dodec-1-ene;ethene
CID 158697165
tetrakis(but-1-ene);oct-1-ene
CID 158942238
azane;undec-1-ene;hydrobromide
CID 175982130
potassium;hydride;octadec-1-ene
CID 175063573

Frequently Asked Questions

What is the IUPAC name of dec-1-ene;dodec-1-ene;tetradec-1-ene?
The IUPAC name of dec-1-ene;dodec-1-ene;tetradec-1-ene (CID 159177706) is dec-1-ene;dodec-1-ene;tetradec-1-ene.
What is the SMILES notation for dec-1-ene;dodec-1-ene;tetradec-1-ene?
The canonical SMILES for dec-1-ene;dodec-1-ene;tetradec-1-ene is C=CCCCCCCCC.C=CCCCCCCCCCC.C=CCCCCCCCCCCCC.
What is the InChIKey of dec-1-ene;dodec-1-ene;tetradec-1-ene?
The InChIKey is KMMJYDPVDTYQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28.C12H24.C10H20/c1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-3-5-7-9-11-12-10-8-6-4-2;1-3-5-7-9-10-8-6-4-2/h3H,1,4-14H2,2H3;3H,1,4-12H2,2H3;3H,1,4-10H2,2H3.
What are the key properties of dec-1-ene;dodec-1-ene;tetradec-1-ene?
dec-1-ene;dodec-1-ene;tetradec-1-ene has a molecular weight of 504.97 g/mol, XLogP of 14.11, 27 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dec-1-ene;dodec-1-ene;tetradec-1-ene is sourced from PubChem (CID 159177706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).