4-(oxiran-2-yl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene

C8H8O3 — CID 88615173

IUPAC4-(oxiran-2-yl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
SMILESC1=CC2(C3CO3)OC2C2OC12
InChIInChI=1S/C8H8O3/c1-2-8(5-3-9-5)7(11-8)6-4(1)10-6/h1-2,4-7H,3H2
InChIKeyFVUZXMRYTDVRMJ-UHFFFAOYSA-N
MW152.15 g/mol
LogP-0.14
Rot. Bonds1

About 4-(oxiran-2-yl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene

4-(oxiran-2-yl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene (PubChem CID 88615173) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 4-(oxiran-2-yl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene.

Molecular Properties

Compound Name4-(oxiran-2-yl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
PubChem CID88615173
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name4-(oxiran-2-yl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
SMILESC1=CC2(C3CO3)OC2C2OC12
InChIInChI=1S/C8H8O3/c1-2-8(5-3-9-5)7(11-8)6-4(1)10-6/h1-2,4-7H,3H2
InChIKeyFVUZXMRYTDVRMJ-UHFFFAOYSA-N
XLogP-0.14
TPSA37.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(oxiran-2-yl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene?
The IUPAC name of 4-(oxiran-2-yl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene (CID 88615173) is 4-(oxiran-2-yl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene.
What is the SMILES notation for 4-(oxiran-2-yl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene?
The canonical SMILES for 4-(oxiran-2-yl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene is C1=CC2(C3CO3)OC2C2OC12.
What is the InChIKey of 4-(oxiran-2-yl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene?
The InChIKey is FVUZXMRYTDVRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c1-2-8(5-3-9-5)7(11-8)6-4(1)10-6/h1-2,4-7H,3H2.
What are the key properties of 4-(oxiran-2-yl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene?
4-(oxiran-2-yl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene has a molecular weight of 152.15 g/mol, XLogP of -0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxiran-2-yl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene is sourced from PubChem (CID 88615173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).