2,3-bis(ethenyl)-1,4-benzodioxine;ethane

C18H28O2 — CID 144875800

IUPAC2,3-bis(ethenyl)-1,4-benzodioxine;ethane
SMILESC=CC1=C(C=C)Oc2ccccc2O1.CC.CC.CC
InChIInChI=1S/C12H10O2.3C2H6/c1-3-9-10(4-2)14-12-8-6-5-7-11(12)13-9;3*1-2/h3-8H,1-2H2;3*1-2H3
InChIKeyGNEQUOSNLPTBEV-UHFFFAOYSA-N
MW276.42 g/mol
LogP6.12
Rot. Bonds2

About 2,3-bis(ethenyl)-1,4-benzodioxine;ethane

2,3-bis(ethenyl)-1,4-benzodioxine;ethane (PubChem CID 144875800) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-1,4-benzodioxine;ethane.

Molecular Properties

Compound Name2,3-bis(ethenyl)-1,4-benzodioxine;ethane
PubChem CID144875800
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name2,3-bis(ethenyl)-1,4-benzodioxine;ethane
SMILESC=CC1=C(C=C)Oc2ccccc2O1.CC.CC.CC
InChIInChI=1S/C12H10O2.3C2H6/c1-3-9-10(4-2)14-12-8-6-5-7-11(12)13-9;3*1-2/h3-8H,1-2H2;3*1-2H3
InChIKeyGNEQUOSNLPTBEV-UHFFFAOYSA-N
XLogP6.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-bis(ethenyl)-4-methyl-1,5-benzoxazepine;ethane
CID 143559626
2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine;ethane
CID 145383928
2,3-bis(ethenyl)-4-phenyl-4H-chromene
CID 143647805
10-[2-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]phenyl]phenoxazine
CID 163464448
7-oxabicyclo[4.1.0]hepta-1,3,5-triene;sulfane
CID 174614993
2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine
CID 145125517
tris(dibenzo-p-dioxin);heptakis(N,N-dimethylethanamine);ethane
CID 160928703
benzene;ethane;styrene
CID 21219610
1,2-bis(ethenyl)benzene;buta-1,3-diene;ethane
CID 143099406
1,2-bis(ethenyl)benzene;ethane;prop-1-ene
CID 143139503
3-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]-N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 143961246
2,3-bis(ethenyl)-2'-methyl-3'-prop-1-enylspiro[chromene-4,1'-indene]
CID 123379297

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-1,4-benzodioxine;ethane?
The IUPAC name of 2,3-bis(ethenyl)-1,4-benzodioxine;ethane (CID 144875800) is 2,3-bis(ethenyl)-1,4-benzodioxine;ethane.
What is the SMILES notation for 2,3-bis(ethenyl)-1,4-benzodioxine;ethane?
The canonical SMILES for 2,3-bis(ethenyl)-1,4-benzodioxine;ethane is C=CC1=C(C=C)Oc2ccccc2O1.CC.CC.CC.
What is the InChIKey of 2,3-bis(ethenyl)-1,4-benzodioxine;ethane?
The InChIKey is GNEQUOSNLPTBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2.3C2H6/c1-3-9-10(4-2)14-12-8-6-5-7-11(12)13-9;3*1-2/h3-8H,1-2H2;3*1-2H3.
What are the key properties of 2,3-bis(ethenyl)-1,4-benzodioxine;ethane?
2,3-bis(ethenyl)-1,4-benzodioxine;ethane has a molecular weight of 276.42 g/mol, XLogP of 6.12, 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)-1,4-benzodioxine;ethane is sourced from PubChem (CID 144875800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).