2,3-bis(ethenyl)-6,7-dihydro-5H-1,4-dioxepine;ethane

C13H24O2 — CID 168899023

IUPAC2,3-bis(ethenyl)-6,7-dihydro-5H-1,4-dioxepine;ethane
SMILESC=CC1=C(C=C)OCCCO1.CC.CC
InChIInChI=1S/C9H12O2.2C2H6/c1-3-8-9(4-2)11-7-5-6-10-8;2*1-2/h3-4H,1-2,5-7H2;2*1-2H3
InChIKeyGHJZLMHECRYULD-UHFFFAOYSA-N
MW212.33 g/mol
LogP4.06
Rot. Bonds2

About 2,3-bis(ethenyl)-6,7-dihydro-5H-1,4-dioxepine;ethane

2,3-bis(ethenyl)-6,7-dihydro-5H-1,4-dioxepine;ethane (PubChem CID 168899023) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-6,7-dihydro-5H-1,4-dioxepine;ethane.

Molecular Properties

Compound Name2,3-bis(ethenyl)-6,7-dihydro-5H-1,4-dioxepine;ethane
PubChem CID168899023
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2,3-bis(ethenyl)-6,7-dihydro-5H-1,4-dioxepine;ethane
SMILESC=CC1=C(C=C)OCCCO1.CC.CC
InChIInChI=1S/C9H12O2.2C2H6/c1-3-8-9(4-2)11-7-5-6-10-8;2*1-2/h3-4H,1-2,5-7H2;2*1-2H3
InChIKeyGHJZLMHECRYULD-UHFFFAOYSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3-bis(ethenyl)-6,7-dihydro-5H-1,4-dioxepine;ethane 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 2,3-bis(ethenyl)-6,7-dihydro-5H-1,4-dioxepine;ethane?
The IUPAC name of 2,3-bis(ethenyl)-6,7-dihydro-5H-1,4-dioxepine;ethane (CID 168899023) is 2,3-bis(ethenyl)-6,7-dihydro-5H-1,4-dioxepine;ethane.
What is the SMILES notation for 2,3-bis(ethenyl)-6,7-dihydro-5H-1,4-dioxepine;ethane?
The canonical SMILES for 2,3-bis(ethenyl)-6,7-dihydro-5H-1,4-dioxepine;ethane is C=CC1=C(C=C)OCCCO1.CC.CC.
What is the InChIKey of 2,3-bis(ethenyl)-6,7-dihydro-5H-1,4-dioxepine;ethane?
The InChIKey is GHJZLMHECRYULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2.2C2H6/c1-3-8-9(4-2)11-7-5-6-10-8;2*1-2/h3-4H,1-2,5-7H2;2*1-2H3.
What are the key properties of 2,3-bis(ethenyl)-6,7-dihydro-5H-1,4-dioxepine;ethane?
2,3-bis(ethenyl)-6,7-dihydro-5H-1,4-dioxepine;ethane has a molecular weight of 212.33 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-6,7-dihydro-5H-1,4-dioxepine;ethane is sourced from PubChem (CID 168899023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).