non-1-ene

C18H36 — CID 141296734

IUPACnon-1-ene
SMILESC=CCCCCCCC.C=CCCCCCCC
InChIInChI=1S/2C9H18/c2*1-3-5-7-9-8-6-4-2/h2*3H,1,4-9H2,2H3
InChIKeyAROXVLRJAPKEAN-UHFFFAOYSA-N
MW252.49 g/mol
LogP7.07
Rot. Bonds12

About non-1-ene

non-1-ene (PubChem CID 141296734) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is non-1-ene.

Molecular Properties

Compound Namenon-1-ene
PubChem CID141296734
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Namenon-1-ene
SMILESC=CCCCCCCC.C=CCCCCCCC
InChIInChI=1S/2C9H18/c2*1-3-5-7-9-8-6-4-2/h2*3H,1,4-9H2,2H3
InChIKeyAROXVLRJAPKEAN-UHFFFAOYSA-N
XLogP7.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 57.07
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

hexane;octadec-1-ene
CID 175577514
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadec-1-ene;tetradec-1-ene
CID 158470925
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
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 non-1-ene?
The IUPAC name of non-1-ene (CID 141296734) is non-1-ene.
What is the SMILES notation for non-1-ene?
The canonical SMILES for non-1-ene is C=CCCCCCCC.C=CCCCCCCC.
What is the InChIKey of non-1-ene?
The InChIKey is AROXVLRJAPKEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H18/c2*1-3-5-7-9-8-6-4-2/h2*3H,1,4-9H2,2H3.
What are the key properties of non-1-ene?
non-1-ene has a molecular weight of 252.49 g/mol, XLogP of 7.07, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for non-1-ene is sourced from PubChem (CID 141296734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).