4-ethenyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene

C8H8O2 — CID 141004152

IUPAC4-ethenyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
SMILESC=CC12C=CC3OC3C1O2
InChIInChI=1S/C8H8O2/c1-2-8-4-3-5-6(9-5)7(8)10-8/h2-7H,1H2
InChIKeyWBOGUBMTMPGTOA-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.65
Rot. Bonds1

About 4-ethenyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene

4-ethenyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene (PubChem CID 141004152) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 4-ethenyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene.

Molecular Properties

Compound Name4-ethenyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
PubChem CID141004152
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name4-ethenyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
SMILESC=CC12C=CC3OC3C1O2
InChIInChI=1S/C8H8O2/c1-2-8-4-3-5-6(9-5)7(8)10-8/h2-7H,1H2
InChIKeyWBOGUBMTMPGTOA-UHFFFAOYSA-N
XLogP0.65
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3,8-Dioxatricyclo(5.1.0.0~2,4~)oct-5-ene
CID 217634
3,8-Dioxatricyclo(5.1.0.0(sup 2,4))oct-4-ene, anti-
CID 3039734
Toluene dioxide
CID 73320957
Divinylbenzene dioxide
CID 87060285
Styrene oxide oxide
CID 88421445
(1S,2R,4R,7S)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
CID 12432737
(1S,2S,4S,7S)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
CID 11040649
(1R,2R,4S,7R)-5-iodo-1-methyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
CID 11680378
(1S,2S,4S,7S)-1-methyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
CID 11715173
(1R,2S,4S,7R)-1-methyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
CID 16749492
2,2-Dimethyl-3-(3-methyl-3-prop-1-enyloxiran-2-yl)oxirane
CID 53654429
5-(Oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene
CID 59720897

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene?
The IUPAC name of 4-ethenyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene (CID 141004152) is 4-ethenyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene.
What is the SMILES notation for 4-ethenyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene?
The canonical SMILES for 4-ethenyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene is C=CC12C=CC3OC3C1O2.
What is the InChIKey of 4-ethenyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene?
The InChIKey is WBOGUBMTMPGTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c1-2-8-4-3-5-6(9-5)7(8)10-8/h2-7H,1H2.
What are the key properties of 4-ethenyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene?
4-ethenyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene has a molecular weight of 136.15 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene is sourced from PubChem (CID 141004152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).