6-ethenyl-4H-1,3-benzodioxine

C10H10O2 — CID 175961395

IUPAC6-ethenyl-4H-1,3-benzodioxine
SMILESC=Cc1ccc2c(c1)COCO2
InChIInChI=1S/C10H10O2/c1-2-8-3-4-10-9(5-8)6-11-7-12-10/h2-5H,1,6-7H2
InChIKeyRGWLKIRNTGUYDQ-UHFFFAOYSA-N
MW162.19 g/mol
LogP2.20
Rot. Bonds1

About 6-ethenyl-4H-1,3-benzodioxine

6-ethenyl-4H-1,3-benzodioxine (PubChem CID 175961395) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 6-ethenyl-4H-1,3-benzodioxine.

Molecular Properties

Compound Name6-ethenyl-4H-1,3-benzodioxine
PubChem CID175961395
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name6-ethenyl-4H-1,3-benzodioxine
SMILESC=Cc1ccc2c(c1)COCO2
InChIInChI=1S/C10H10O2/c1-2-8-3-4-10-9(5-8)6-11-7-12-10/h2-5H,1,6-7H2
InChIKeyRGWLKIRNTGUYDQ-UHFFFAOYSA-N
XLogP2.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethenyl-3,4-dihydro-2H-chromene
CID 23503811
6-ethenyl-3,4-dihydro-2H-1,3-benzoxazine
CID 141192559
6-ethenyl-3-phenyl-2,4-dihydro-1,3-benzoxazine
CID 132523463
2,6-bis(ethenyl)-9,10-dihydroanthracene
CID 102252812
6,7-dichloro-4H-1,3-benzodioxine
CID 90695645
5-ethenyl-2,3-dihydro-1H-indene
CID 59801498
4H-1,3-benzodioxin-6-ylurea
CID 91180713
5-propa-1,2-dienyl-1,3-benzodioxole
CID 15640577
6-ethenyl-1,1a,2,7b-tetrahydrocyclopropa[c]chromene
CID 70311228
1-(4H-1,3-benzodioxin-6-ylmethyl)piperazine
CID 57288716
1-(4H-1,3-benzodioxin-6-yl)-3-phenylurea
CID 69476954
5-[(Z)-2-bromoethenyl]-1,3-benzodioxole
CID 11310703

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-4H-1,3-benzodioxine?
The IUPAC name of 6-ethenyl-4H-1,3-benzodioxine (CID 175961395) is 6-ethenyl-4H-1,3-benzodioxine.
What is the SMILES notation for 6-ethenyl-4H-1,3-benzodioxine?
The canonical SMILES for 6-ethenyl-4H-1,3-benzodioxine is C=Cc1ccc2c(c1)COCO2.
What is the InChIKey of 6-ethenyl-4H-1,3-benzodioxine?
The InChIKey is RGWLKIRNTGUYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-2-8-3-4-10-9(5-8)6-11-7-12-10/h2-5H,1,6-7H2.
What are the key properties of 6-ethenyl-4H-1,3-benzodioxine?
6-ethenyl-4H-1,3-benzodioxine has a molecular weight of 162.19 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-4H-1,3-benzodioxine is sourced from PubChem (CID 175961395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).