dodec-1-ene;4-methylpent-1-ene;tetradec-1-ene

C32H64 — CID 170852205

IUPACdodec-1-ene;4-methylpent-1-ene;tetradec-1-ene
SMILESC=CCC(C)C.C=CCCCCCCCCCC.C=CCCCCCCCCCCCC
InChIInChI=1S/C14H28.C12H24.C6H12/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;1-4-5-6(2)3/h3H,1,4-14H2,2H3;3H,1,4-12H2,2H3;4,6H,1,5H2,2-3H3
InChIKeyIWYKDWBTQFPLSL-UHFFFAOYSA-N
MW448.86 g/mol
LogP12.41
Rot. Bonds22

About dodec-1-ene;4-methylpent-1-ene;tetradec-1-ene

dodec-1-ene;4-methylpent-1-ene;tetradec-1-ene (PubChem CID 170852205) has the molecular formula C32H64 and a molecular weight of 448.86 g/mol. Its IUPAC name is dodec-1-ene;4-methylpent-1-ene;tetradec-1-ene.

Molecular Properties

Compound Namedodec-1-ene;4-methylpent-1-ene;tetradec-1-ene
PubChem CID170852205
Molecular FormulaC32H64
Molecular Weight448.86 g/mol
Exact Mass448.50
IUPAC Namedodec-1-ene;4-methylpent-1-ene;tetradec-1-ene
SMILESC=CCC(C)C.C=CCCCCCCCCCC.C=CCCCCCCCCCCCC
InChIInChI=1S/C14H28.C12H24.C6H12/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;1-4-5-6(2)3/h3H,1,4-14H2,2H3;3H,1,4-12H2,2H3;4,6H,1,5H2,2-3H3
InChIKeyIWYKDWBTQFPLSL-UHFFFAOYSA-N
XLogP12.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.86
LogP ≤ 512.41
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;4-methylpent-1-ene;tetradec-1-ene?
The IUPAC name of dodec-1-ene;4-methylpent-1-ene;tetradec-1-ene (CID 170852205) is dodec-1-ene;4-methylpent-1-ene;tetradec-1-ene.
What is the SMILES notation for dodec-1-ene;4-methylpent-1-ene;tetradec-1-ene?
The canonical SMILES for dodec-1-ene;4-methylpent-1-ene;tetradec-1-ene is C=CCC(C)C.C=CCCCCCCCCCC.C=CCCCCCCCCCCCC.
What is the InChIKey of dodec-1-ene;4-methylpent-1-ene;tetradec-1-ene?
The InChIKey is IWYKDWBTQFPLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28.C12H24.C6H12/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;1-4-5-6(2)3/h3H,1,4-14H2,2H3;3H,1,4-12H2,2H3;4,6H,1,5H2,2-3H3.
What are the key properties of dodec-1-ene;4-methylpent-1-ene;tetradec-1-ene?
dodec-1-ene;4-methylpent-1-ene;tetradec-1-ene has a molecular weight of 448.86 g/mol, XLogP of 12.41, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-1-ene;4-methylpent-1-ene;tetradec-1-ene is sourced from PubChem (CID 170852205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).