5-methylidene-4H-1,3-benzodioxole

C8H8O2 — CID 162393126

IUPAC5-methylidene-4H-1,3-benzodioxole
SMILESC=C1C=CC2=C(C1)OCO2
InChIInChI=1S/C8H8O2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-3H,1,4-5H2
InChIKeyFBALBFIGKOXFIT-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.72
Rot. Bonds

About 5-methylidene-4H-1,3-benzodioxole

5-methylidene-4H-1,3-benzodioxole (PubChem CID 162393126) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 5-methylidene-4H-1,3-benzodioxole.

Molecular Properties

Compound Name5-methylidene-4H-1,3-benzodioxole
PubChem CID162393126
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name5-methylidene-4H-1,3-benzodioxole
SMILESC=C1C=CC2=C(C1)OCO2
InChIInChI=1S/C8H8O2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-3H,1,4-5H2
InChIKeyFBALBFIGKOXFIT-UHFFFAOYSA-N
XLogP1.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-5-prop-2-enyl-4H-1,3-benzodioxole
CID 129636699
Lithium 1-(methoxymethoxy)-2-methylbenzene-6-ide
CID 57533349
(E)-methoxy-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate
CID 134844162
[5-(Methoxymethoxy)-6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]methanone
CID 134873049
Lithium 1-(methoxymethoxy)-3-methylbenzene-2-ide
CID 135082882
4H-cyclopenta[g][1,3]benzodioxol-2-ol
CID 17981054
5-Ethenyl-2,4-benzodioxepine
CID 19812424
2,2'-spirobi[4H-1-benzofuran]
CID 19853412
8,10-dihydro-7H-cyclohepta[f][1,3]benzodioxole
CID 20066638
3aH-cyclohepta[f][1,3]benzodioxole
CID 21625201
4,5-Dihydro-1,3-benzodioxole
CID 21862855
4H-cyclopenta[g][1,3]benzodioxole
CID 21933619

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-4H-1,3-benzodioxole?
The IUPAC name of 5-methylidene-4H-1,3-benzodioxole (CID 162393126) is 5-methylidene-4H-1,3-benzodioxole.
What is the SMILES notation for 5-methylidene-4H-1,3-benzodioxole?
The canonical SMILES for 5-methylidene-4H-1,3-benzodioxole is C=C1C=CC2=C(C1)OCO2.
What is the InChIKey of 5-methylidene-4H-1,3-benzodioxole?
The InChIKey is FBALBFIGKOXFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-3H,1,4-5H2.
What are the key properties of 5-methylidene-4H-1,3-benzodioxole?
5-methylidene-4H-1,3-benzodioxole has a molecular weight of 136.15 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-4H-1,3-benzodioxole is sourced from PubChem (CID 162393126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).