dec-1-ene;dodec-1-ene;19-pentadecylideneheptatriaconta-1,28-diene;undec-1-ene

C85H166 — CID 173410314

IUPACdec-1-ene;dodec-1-ene;19-pentadecylideneheptatriaconta-1,28-diene;undec-1-ene
SMILESC=CCCCCCCCC.C=CCCCCCCCCC.C=CCCCCCCCCCC.C=CCCCCCCCCCCCCCCCCC(=CCCCCCCCCCCCCCC)CCCCCCCCC=CCCCCCCCC
InChIInChI=1S/C52H100.C12H24.C11H22.C10H20/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-52(49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2;1-3-5-7-9-11-12-10-8-6-4-2;1-3-5-7-9-11-10-8-6-4-2;1-3-5-7-9-10-8-6-4-2/h4,26,28,49H,1,5-25,27,29-48,50-51H2,2-3H3;3H,1,4-12H2,2H3;3H,1,4-11H2,2H3;3H,1,4-10H2,2H3
InChIKeyZZOUYRKAGZAIGB-UHFFFAOYSA-N
MW1188.26 g/mol
LogP32.80
Rot. Bonds70

About dec-1-ene;dodec-1-ene;19-pentadecylideneheptatriaconta-1,28-diene;undec-1-ene

dec-1-ene;dodec-1-ene;19-pentadecylideneheptatriaconta-1,28-diene;undec-1-ene (PubChem CID 173410314) has the molecular formula C85H166 and a molecular weight of 1188.26 g/mol. Its IUPAC name is dec-1-ene;dodec-1-ene;19-pentadecylideneheptatriaconta-1,28-diene;undec-1-ene.

Molecular Properties

Compound Namedec-1-ene;dodec-1-ene;19-pentadecylideneheptatriaconta-1,28-diene;undec-1-ene
PubChem CID173410314
Molecular FormulaC85H166
Molecular Weight1188.26 g/mol
Exact Mass1187.30
IUPAC Namedec-1-ene;dodec-1-ene;19-pentadecylideneheptatriaconta-1,28-diene;undec-1-ene
SMILESC=CCCCCCCCC.C=CCCCCCCCCC.C=CCCCCCCCCCC.C=CCCCCCCCCCCCCCCCCC(=CCCCCCCCCCCCCCC)CCCCCCCCC=CCCCCCCCC
InChIInChI=1S/C52H100.C12H24.C11H22.C10H20/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-52(49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2;1-3-5-7-9-11-12-10-8-6-4-2;1-3-5-7-9-11-10-8-6-4-2;1-3-5-7-9-10-8-6-4-2/h4,26,28,49H,1,5-25,27,29-48,50-51H2,2-3H3;3H,1,4-12H2,2H3;3H,1,4-11H2,2H3;3H,1,4-10H2,2H3
InChIKeyZZOUYRKAGZAIGB-UHFFFAOYSA-N
XLogP32.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds70
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001188.26
LogP ≤ 532.80
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'}

Analyze dec-1-ene;dodec-1-ene;19-pentadecylideneheptatriaconta-1,28-diene;undec-1-ene with MolForge

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Related Compounds

19-tetradecylideneheptatriaconta-1,28-diene
CID 173321921
13-oct-7-enyltriaconta-1,13-diene
CID 123204509
28-hexylpentaconta-1,28-diene
CID 90932256
(5Z)-5-nonylidenenonadec-18-enal
CID 87998044
6-but-3-enylundec-5-ene
CID 175604852
pentaconta-1,25-diene
CID 90941740
pentacosa-1,9,15-triene
CID 90876289
tetradeca-1,8-diene
CID 90913546
pentacosa-1,16-diene
CID 57082437
(7E)-heptadeca-1,7-diene
CID 19050683
triaconta-1,19-diene
CID 54007897
heptadeca-1,7-diene
CID 57204265

Frequently Asked Questions

What is the IUPAC name of dec-1-ene;dodec-1-ene;19-pentadecylideneheptatriaconta-1,28-diene;undec-1-ene?
The IUPAC name of dec-1-ene;dodec-1-ene;19-pentadecylideneheptatriaconta-1,28-diene;undec-1-ene (CID 173410314) is dec-1-ene;dodec-1-ene;19-pentadecylideneheptatriaconta-1,28-diene;undec-1-ene.
What is the SMILES notation for dec-1-ene;dodec-1-ene;19-pentadecylideneheptatriaconta-1,28-diene;undec-1-ene?
The canonical SMILES for dec-1-ene;dodec-1-ene;19-pentadecylideneheptatriaconta-1,28-diene;undec-1-ene is C=CCCCCCCCC.C=CCCCCCCCCC.C=CCCCCCCCCCC.C=CCCCCCCCCCCCCCCCCC(=CCCCCCCCCCCCCCC)CCCCCCCCC=CCCCCCCCC.
What is the InChIKey of dec-1-ene;dodec-1-ene;19-pentadecylideneheptatriaconta-1,28-diene;undec-1-ene?
The InChIKey is ZZOUYRKAGZAIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H100.C12H24.C11H22.C10H20/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-52(49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2;1-3-5-7-9-11-12-10-8-6-4-2;1-3-5-7-9-11-10-8-6-4-2;1-3-5-7-9-10-8-6-4-2/h4,26,28,49H,1,5-25,27,29-48,50-51H2,2-3H3;3H,1,4-12H2,2H3;3H,1,4-11H2,2H3;3H,1,4-10H2,2H3.
What are the key properties of dec-1-ene;dodec-1-ene;19-pentadecylideneheptatriaconta-1,28-diene;undec-1-ene?
dec-1-ene;dodec-1-ene;19-pentadecylideneheptatriaconta-1,28-diene;undec-1-ene has a molecular weight of 1188.26 g/mol, XLogP of 32.80, 70 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;19-pentadecylideneheptatriaconta-1,28-diene;undec-1-ene is sourced from PubChem (CID 173410314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).