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

C14H18O2 — CID 118418066

IUPAC4,7-bis(ethenyl)-1,5-diethyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
SMILESC=CC12OC1C1(CC)OC1(C=C)C=C2CC
InChIInChI=1S/C14H18O2/c1-5-10-9-12(6-2)14(8-4,16-12)11-13(10,7-3)15-11/h6-7,9,11H,2-3,5,8H2,1,4H3
InChIKeyBAINDOLMNROIOD-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.76
Rot. Bonds4

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

4,7-bis(ethenyl)-1,5-diethyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene (PubChem CID 118418066) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 4,7-bis(ethenyl)-1,5-diethyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene.

Molecular Properties

Compound Name4,7-bis(ethenyl)-1,5-diethyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
PubChem CID118418066
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name4,7-bis(ethenyl)-1,5-diethyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
SMILESC=CC12OC1C1(CC)OC1(C=C)C=C2CC
InChIInChI=1S/C14H18O2/c1-5-10-9-12(6-2)14(8-4,16-12)11-13(10,7-3)15-11/h6-7,9,11H,2-3,5,8H2,1,4H3
InChIKeyBAINDOLMNROIOD-UHFFFAOYSA-N
XLogP2.76
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.76
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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Frequently Asked Questions

What is the IUPAC name of 4,7-bis(ethenyl)-1,5-diethyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene?
The IUPAC name of 4,7-bis(ethenyl)-1,5-diethyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene (CID 118418066) is 4,7-bis(ethenyl)-1,5-diethyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene.
What is the SMILES notation for 4,7-bis(ethenyl)-1,5-diethyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene?
The canonical SMILES for 4,7-bis(ethenyl)-1,5-diethyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene is C=CC12OC1C1(CC)OC1(C=C)C=C2CC.
What is the InChIKey of 4,7-bis(ethenyl)-1,5-diethyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene?
The InChIKey is BAINDOLMNROIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-5-10-9-12(6-2)14(8-4,16-12)11-13(10,7-3)15-11/h6-7,9,11H,2-3,5,8H2,1,4H3.
What are the key properties of 4,7-bis(ethenyl)-1,5-diethyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene?
4,7-bis(ethenyl)-1,5-diethyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene has a molecular weight of 218.30 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis(ethenyl)-1,5-diethyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene is sourced from PubChem (CID 118418066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).