dodec-1-ene

C12H24 — CID 8183

IUPACdodec-1-ene
SMILESC=CCCCCCCCCCC
InChIInChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4-12H2,2H3
InChIKeyCRSBERNSMYQZNG-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.70
Rot. Bonds9

About dodec-1-ene

dodec-1-ene (PubChem CID 8183) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is dodec-1-ene.

Molecular Properties

Compound Namedodec-1-ene
PubChem CID8183
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Namedodec-1-ene
SMILESC=CCCCCCCCCCC
InChIInChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4-12H2,2H3
InChIKeyCRSBERNSMYQZNG-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.70
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

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CID 31285
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CID 13381
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CID 12395
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CID 14260
CID 14260
CID 8217
CID 8217
CID 13190
CID 13190
CID 5364452
CID 5364452
CID 15439
CID 15439
CID 5364559
CID 5364559
CID 25913
CID 25913

Frequently Asked Questions

What is the IUPAC name of dodec-1-ene?
The IUPAC name of dodec-1-ene (CID 8183) is dodec-1-ene.
What is the SMILES notation for dodec-1-ene?
The canonical SMILES for dodec-1-ene is C=CCCCCCCCCCC.
What is the InChIKey of dodec-1-ene?
The InChIKey is CRSBERNSMYQZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4-12H2,2H3.
What are the key properties of dodec-1-ene?
dodec-1-ene has a molecular weight of 168.32 g/mol, XLogP of 4.70, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-1-ene is sourced from PubChem (CID 8183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).