octadecane;octadec-1-ene

C36H74 — CID 162018238

IUPACoctadecane;octadec-1-ene
SMILESC=CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C18H38.C18H36/c2*1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3;3H,1,4-18H2,2H3
InChIKeyYUKCQONHSWIBRU-UHFFFAOYSA-N
MW506.99 g/mol
LogP14.31
Rot. Bonds30

About octadecane;octadec-1-ene

octadecane;octadec-1-ene (PubChem CID 162018238) has the molecular formula C36H74 and a molecular weight of 506.99 g/mol. Its IUPAC name is octadecane;octadec-1-ene.

Molecular Properties

Compound Nameoctadecane;octadec-1-ene
PubChem CID162018238
Molecular FormulaC36H74
Molecular Weight506.99 g/mol
Exact Mass506.58
IUPAC Nameoctadecane;octadec-1-ene
SMILESC=CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C18H38.C18H36/c2*1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3;3H,1,4-18H2,2H3
InChIKeyYUKCQONHSWIBRU-UHFFFAOYSA-N
XLogP14.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds30
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.99
LogP ≤ 514.31
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
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
oct-1-ene;hydrobromide
CID 88838560
oct-1-ene;tetrahydrochloride
CID 172847494
dec-1-ene;ethene
CID 161044144
dodec-1-ene;ethene
CID 158697165
tetrakis(but-1-ene);oct-1-ene
CID 158942238
bismuthane;oct-1-ene;sulfane
CID 174601016
azane;undec-1-ene;hydrobromide
CID 175982130

Frequently Asked Questions

What is the IUPAC name of octadecane;octadec-1-ene?
The IUPAC name of octadecane;octadec-1-ene (CID 162018238) is octadecane;octadec-1-ene.
What is the SMILES notation for octadecane;octadec-1-ene?
The canonical SMILES for octadecane;octadec-1-ene is C=CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC.
What is the InChIKey of octadecane;octadec-1-ene?
The InChIKey is YUKCQONHSWIBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38.C18H36/c2*1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3;3H,1,4-18H2,2H3.
What are the key properties of octadecane;octadec-1-ene?
octadecane;octadec-1-ene has a molecular weight of 506.99 g/mol, XLogP of 14.31, 30 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octadecane;octadec-1-ene is sourced from PubChem (CID 162018238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).