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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).