hexane;octadec-1-ene

C24H50 — CID 175577514

IUPAChexane;octadec-1-ene
SMILESC=CCCCCCCCCCCCCCCCC.CCCCCC
InChIInChI=1S/C18H36.C6H14/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-3-5-6-4-2/h3H,1,4-18H2,2H3;3-6H2,1-2H3
InChIKeyKNOZHGXTTVVFOM-UHFFFAOYSA-N
MW338.66 g/mol
LogP9.63
Rot. Bonds18

About hexane;octadec-1-ene

hexane;octadec-1-ene (PubChem CID 175577514) has the molecular formula C24H50 and a molecular weight of 338.66 g/mol. Its IUPAC name is hexane;octadec-1-ene.

Molecular Properties

Compound Namehexane;octadec-1-ene
PubChem CID175577514
Molecular FormulaC24H50
Molecular Weight338.66 g/mol
Exact Mass338.39
IUPAC Namehexane;octadec-1-ene
SMILESC=CCCCCCCCCCCCCCCCC.CCCCCC
InChIInChI=1S/C18H36.C6H14/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-3-5-6-4-2/h3H,1,4-18H2,2H3;3-6H2,1-2H3
InChIKeyKNOZHGXTTVVFOM-UHFFFAOYSA-N
XLogP9.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.66
LogP ≤ 59.63
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

non-1-ene
CID 141296734
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 hexane;octadec-1-ene?
The IUPAC name of hexane;octadec-1-ene (CID 175577514) is hexane;octadec-1-ene.
What is the SMILES notation for hexane;octadec-1-ene?
The canonical SMILES for hexane;octadec-1-ene is C=CCCCCCCCCCCCCCCCC.CCCCCC.
What is the InChIKey of hexane;octadec-1-ene?
The InChIKey is KNOZHGXTTVVFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36.C6H14/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-3-5-6-4-2/h3H,1,4-18H2,2H3;3-6H2,1-2H3.
What are the key properties of hexane;octadec-1-ene?
hexane;octadec-1-ene has a molecular weight of 338.66 g/mol, XLogP of 9.63, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexane;octadec-1-ene is sourced from PubChem (CID 175577514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).