1,7-bis(ethenyl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene

C10H10O2 — CID 87060285

IUPAC1,7-bis(ethenyl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
SMILESC=CC12C=CC3OC3C1(C=C)O2
InChIInChI=1S/C10H10O2/c1-3-9-6-5-7-8(11-7)10(9,4-2)12-9/h3-8H,1-2H2
InChIKeyYDIZFUMZDHUHSH-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.20
Rot. Bonds2

About 1,7-bis(ethenyl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene

1,7-bis(ethenyl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene (PubChem CID 87060285) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 1,7-bis(ethenyl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene.

Molecular Properties

Compound Name1,7-bis(ethenyl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
PubChem CID87060285
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name1,7-bis(ethenyl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
SMILESC=CC12C=CC3OC3C1(C=C)O2
InChIInChI=1S/C10H10O2/c1-3-9-6-5-7-8(11-7)10(9,4-2)12-9/h3-8H,1-2H2
InChIKeyYDIZFUMZDHUHSH-UHFFFAOYSA-N
XLogP1.20
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.20
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
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
(2,3-Epoxypropyl)benzene oxide
CID 86614311

Frequently Asked Questions

What is the IUPAC name of 1,7-bis(ethenyl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene?
The IUPAC name of 1,7-bis(ethenyl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene (CID 87060285) is 1,7-bis(ethenyl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene.
What is the SMILES notation for 1,7-bis(ethenyl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene?
The canonical SMILES for 1,7-bis(ethenyl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene is C=CC12C=CC3OC3C1(C=C)O2.
What is the InChIKey of 1,7-bis(ethenyl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene?
The InChIKey is YDIZFUMZDHUHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-3-9-6-5-7-8(11-7)10(9,4-2)12-9/h3-8H,1-2H2.
What are the key properties of 1,7-bis(ethenyl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene?
1,7-bis(ethenyl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene has a molecular weight of 162.19 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-bis(ethenyl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene is sourced from PubChem (CID 87060285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).