dodec-1-ene

C24H48 — CID 6454350

IUPACdodec-1-ene
SMILESC=CCCCCCCCCCC.C=CCCCCCCCCCC
InChIInChI=1S/2C12H24/c2*1-3-5-7-9-11-12-10-8-6-4-2/h2*3H,1,4-12H2,2H3
InChIKeyMGCDTYCYUMVWPI-UHFFFAOYSA-N
MW336.65 g/mol
LogP9.41
Rot. Bonds18

About dodec-1-ene

dodec-1-ene (PubChem CID 6454350) has the molecular formula C24H48 and a molecular weight of 336.65 g/mol. Its IUPAC name is dodec-1-ene.

Molecular Properties

Compound Namedodec-1-ene
PubChem CID6454350
Molecular FormulaC24H48
Molecular Weight336.65 g/mol
Exact Mass336.38
IUPAC Namedodec-1-ene
SMILESC=CCCCCCCCCCC.C=CCCCCCCCCCC
InChIInChI=1S/2C12H24/c2*1-3-5-7-9-11-12-10-8-6-4-2/h2*3H,1,4-12H2,2H3
InChIKeyMGCDTYCYUMVWPI-UHFFFAOYSA-N
XLogP9.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.65
LogP ≤ 59.41
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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Frequently Asked Questions

What is the IUPAC name of dodec-1-ene?
The IUPAC name of dodec-1-ene (CID 6454350) is dodec-1-ene.
What is the SMILES notation for dodec-1-ene?
The canonical SMILES for dodec-1-ene is C=CCCCCCCCCCC.C=CCCCCCCCCCC.
What is the InChIKey of dodec-1-ene?
The InChIKey is MGCDTYCYUMVWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H24/c2*1-3-5-7-9-11-12-10-8-6-4-2/h2*3H,1,4-12H2,2H3.
What are the key properties of dodec-1-ene?
dodec-1-ene has a molecular weight of 336.65 g/mol, XLogP of 9.41, 18 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 6454350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).