dioxetane;undec-1-ene

C13H26O2 — CID 159623515

IUPACdioxetane;undec-1-ene
SMILESC1COO1.C=CCCCCCCCCC
InChIInChI=1S/C11H22.C2H4O2/c1-3-5-7-9-11-10-8-6-4-2;1-2-4-3-1/h3H,1,4-11H2,2H3;1-2H2
InChIKeyMOESQWOQDIVUTO-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.26
Rot. Bonds8

About dioxetane;undec-1-ene

dioxetane;undec-1-ene (PubChem CID 159623515) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is dioxetane;undec-1-ene.

Molecular Properties

Compound Namedioxetane;undec-1-ene
PubChem CID159623515
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Namedioxetane;undec-1-ene
SMILESC1COO1.C=CCCCCCCCCC
InChIInChI=1S/C11H22.C2H4O2/c1-3-5-7-9-11-10-8-6-4-2;1-2-4-3-1/h3H,1,4-11H2,2H3;1-2H2
InChIKeyMOESQWOQDIVUTO-UHFFFAOYSA-N
XLogP4.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'peroxide', '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
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

Frequently Asked Questions

What is the IUPAC name of dioxetane;undec-1-ene?
The IUPAC name of dioxetane;undec-1-ene (CID 159623515) is dioxetane;undec-1-ene.
What is the SMILES notation for dioxetane;undec-1-ene?
The canonical SMILES for dioxetane;undec-1-ene is C1COO1.C=CCCCCCCCCC.
What is the InChIKey of dioxetane;undec-1-ene?
The InChIKey is MOESQWOQDIVUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.C2H4O2/c1-3-5-7-9-11-10-8-6-4-2;1-2-4-3-1/h3H,1,4-11H2,2H3;1-2H2.
What are the key properties of dioxetane;undec-1-ene?
dioxetane;undec-1-ene has a molecular weight of 214.35 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dioxetane;undec-1-ene is sourced from PubChem (CID 159623515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).