1,3-benzodioxole;ethene

C9H10O2 — CID 142820644

IUPAC1,3-benzodioxole;ethene
SMILESC=C.c1ccc2c(c1)OCO2
InChIInChI=1S/C7H6O2.C2H4/c1-2-4-7-6(3-1)8-5-9-7;1-2/h1-4H,5H2;1-2H2
InChIKeyYGYJTPUNRXVOCM-UHFFFAOYSA-N
MW150.18 g/mol
LogP2.22
Rot. Bonds

About 1,3-benzodioxole;ethene

1,3-benzodioxole;ethene (PubChem CID 142820644) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 1,3-benzodioxole;ethene.

Molecular Properties

Compound Name1,3-benzodioxole;ethene
PubChem CID142820644
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name1,3-benzodioxole;ethene
SMILESC=C.c1ccc2c(c1)OCO2
InChIInChI=1S/C7H6O2.C2H4/c1-2-4-7-6(3-1)8-5-9-7;1-2/h1-4H,5H2;1-2H2
InChIKeyYGYJTPUNRXVOCM-UHFFFAOYSA-N
XLogP2.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,3-benzodioxole;ethane;ethene
CID 143197375
1,3-benzodioxole;hydrobromide
CID 172797493
benzene;1,3-benzodioxole
CID 158998325
1,3-benzodioxole;1,1'-biphenyl
CID 161120601
1,3-benzodioxole;1,3-dihydrobenzimidazol-2-one;ethene
CID 160531673
1,3-benzodioxole;2,2-dimethyl-1,3-benzodioxole
CID 21273269
1,3-benzodioxole;5-methyl-1,3-benzodioxole
CID 19894451
5-methanidyl-5H-benzo[d][1,3,6]benzodioxazocin-5-ium
CID 58806512
2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene
CID 3486729
1,3-benzodioxole;quinoline
CID 67983716
1,3-benzodioxole;2,3-dihydro-1-benzofuran;bis(2-methylpropane)
CID 158598846
2,3,4,5,6,7-hexahydro-1,8-benzodioxecine
CID 13197605

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxole;ethene?
The IUPAC name of 1,3-benzodioxole;ethene (CID 142820644) is 1,3-benzodioxole;ethene.
What is the SMILES notation for 1,3-benzodioxole;ethene?
The canonical SMILES for 1,3-benzodioxole;ethene is C=C.c1ccc2c(c1)OCO2.
What is the InChIKey of 1,3-benzodioxole;ethene?
The InChIKey is YGYJTPUNRXVOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.C2H4/c1-2-4-7-6(3-1)8-5-9-7;1-2/h1-4H,5H2;1-2H2.
What are the key properties of 1,3-benzodioxole;ethene?
1,3-benzodioxole;ethene has a molecular weight of 150.18 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxole;ethene is sourced from PubChem (CID 142820644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).