2-ethenyl-3-[3-[[3-(3-ethenyl-1,4-dioxin-2-yl)-1,4-dioxin-2-yl]oxy]-1,4-dioxin-2-yl]-1,4-dioxine

C20H14O9 — CID 162390317

IUPAC2-ethenyl-3-[3-[[3-(3-ethenyl-1,4-dioxin-2-yl)-1,4-dioxin-2-yl]oxy]-1,4-dioxin-2-yl]-1,4-dioxine
SMILESC=CC1=C(C2=C(OC3=C(C4=C(C=C)OC=CO4)OC=CO3)OC=CO2)OC=CO1
InChIInChI=1S/C20H14O9/c1-3-13-15(23-7-5-21-13)17-19(27-11-9-25-17)29-20-18(26-10-12-28-20)16-14(4-2)22-6-8-24-16/h3-12H,1-2H2
InChIKeyREPAHQCHRZHIPH-UHFFFAOYSA-N
MW398.32 g/mol
LogP4.21
Rot. Bonds6

About 2-ethenyl-3-[3-[[3-(3-ethenyl-1,4-dioxin-2-yl)-1,4-dioxin-2-yl]oxy]-1,4-dioxin-2-yl]-1,4-dioxine

2-ethenyl-3-[3-[[3-(3-ethenyl-1,4-dioxin-2-yl)-1,4-dioxin-2-yl]oxy]-1,4-dioxin-2-yl]-1,4-dioxine (PubChem CID 162390317) has the molecular formula C20H14O9 and a molecular weight of 398.32 g/mol. Its IUPAC name is 2-ethenyl-3-[3-[[3-(3-ethenyl-1,4-dioxin-2-yl)-1,4-dioxin-2-yl]oxy]-1,4-dioxin-2-yl]-1,4-dioxine.

Molecular Properties

Compound Name2-ethenyl-3-[3-[[3-(3-ethenyl-1,4-dioxin-2-yl)-1,4-dioxin-2-yl]oxy]-1,4-dioxin-2-yl]-1,4-dioxine
PubChem CID162390317
Molecular FormulaC20H14O9
Molecular Weight398.32 g/mol
Exact Mass398.06
IUPAC Name2-ethenyl-3-[3-[[3-(3-ethenyl-1,4-dioxin-2-yl)-1,4-dioxin-2-yl]oxy]-1,4-dioxin-2-yl]-1,4-dioxine
SMILESC=CC1=C(C2=C(OC3=C(C4=C(C=C)OC=CO4)OC=CO3)OC=CO2)OC=CO1
InChIInChI=1S/C20H14O9/c1-3-13-15(23-7-5-21-13)17-19(27-11-9-25-17)29-20-18(26-10-12-28-20)16-14(4-2)22-6-8-24-16/h3-12H,1-2H2
InChIKeyREPAHQCHRZHIPH-UHFFFAOYSA-N
XLogP4.21
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.32
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-ethenyl-3-[3-[[3-(3-ethenyl-1,4-dioxin-2-yl)-1,4-dioxin-2-yl]oxy]-1,4-dioxin-2-yl]-1,4-dioxine with MolForge

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Related Compounds

2,3-bis(ethenyl)-4-methylidenepyran
CID 143333491
2,3-bis(ethenyl)-1,4-benzodioxine;ethane
CID 144875800
5,6-bis(ethenyl)-2,2,3,3-tetrafluoro-1,4-dioxine
CID 145021961
2-(3-prop-2-enyl-1,4-dioxin-2-yl)pyrazine
CID 175265567
2-ethenyl-1,3,5-trimethylbenzene
CID 158735169
4-ethenyl-2H-3,1-benzoxazine
CID 172994105
ethyl 2-amino-4-(1,3-dioxol-2-yl)-5-ethenylbenzoate
CID 141383085
(2E,5E,8E,11E,14E)-2-[(4-ethenylphenyl)methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadeca-2,5,8,11,14-pentaene
CID 118202396
2,3-bis(ethenyl)-6,7-dihydro-5H-1,4-dioxepine;ethane
CID 168899023
2,7-bis(ethenyl)-3,6-dimethylnaphthalene
CID 174382299
3,4-bis(ethenyl)furan
CID 15489835
2,3-bis(ethenyl)-6,6-dimethyl-5,7-dihydro-1,4-dioxepine
CID 156792165

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-[3-[[3-(3-ethenyl-1,4-dioxin-2-yl)-1,4-dioxin-2-yl]oxy]-1,4-dioxin-2-yl]-1,4-dioxine?
The IUPAC name of 2-ethenyl-3-[3-[[3-(3-ethenyl-1,4-dioxin-2-yl)-1,4-dioxin-2-yl]oxy]-1,4-dioxin-2-yl]-1,4-dioxine (CID 162390317) is 2-ethenyl-3-[3-[[3-(3-ethenyl-1,4-dioxin-2-yl)-1,4-dioxin-2-yl]oxy]-1,4-dioxin-2-yl]-1,4-dioxine.
What is the SMILES notation for 2-ethenyl-3-[3-[[3-(3-ethenyl-1,4-dioxin-2-yl)-1,4-dioxin-2-yl]oxy]-1,4-dioxin-2-yl]-1,4-dioxine?
The canonical SMILES for 2-ethenyl-3-[3-[[3-(3-ethenyl-1,4-dioxin-2-yl)-1,4-dioxin-2-yl]oxy]-1,4-dioxin-2-yl]-1,4-dioxine is C=CC1=C(C2=C(OC3=C(C4=C(C=C)OC=CO4)OC=CO3)OC=CO2)OC=CO1.
What is the InChIKey of 2-ethenyl-3-[3-[[3-(3-ethenyl-1,4-dioxin-2-yl)-1,4-dioxin-2-yl]oxy]-1,4-dioxin-2-yl]-1,4-dioxine?
The InChIKey is REPAHQCHRZHIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O9/c1-3-13-15(23-7-5-21-13)17-19(27-11-9-25-17)29-20-18(26-10-12-28-20)16-14(4-2)22-6-8-24-16/h3-12H,1-2H2.
What are the key properties of 2-ethenyl-3-[3-[[3-(3-ethenyl-1,4-dioxin-2-yl)-1,4-dioxin-2-yl]oxy]-1,4-dioxin-2-yl]-1,4-dioxine?
2-ethenyl-3-[3-[[3-(3-ethenyl-1,4-dioxin-2-yl)-1,4-dioxin-2-yl]oxy]-1,4-dioxin-2-yl]-1,4-dioxine has a molecular weight of 398.32 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-[3-[[3-(3-ethenyl-1,4-dioxin-2-yl)-1,4-dioxin-2-yl]oxy]-1,4-dioxin-2-yl]-1,4-dioxine is sourced from PubChem (CID 162390317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).