2,2'-spirobi[1,3-benzodioxole]

C13H8O4 — CID 10977219

IUPAC2,2'-spirobi[1,3-benzodioxole]
SMILESc1ccc2c(c1)OC1(O2)Oc2ccccc2O1
InChIInChI=1S/C13H8O4/c1-2-6-10-9(5-1)14-13(15-10)16-11-7-3-4-8-12(11)17-13/h1-8H
InChIKeyLPVNBSMANKMSDC-UHFFFAOYSA-N
MW228.20 g/mol
LogP2.54
Rot. Bonds

About 2,2'-spirobi[1,3-benzodioxole]

2,2'-spirobi[1,3-benzodioxole] (PubChem CID 10977219) has the molecular formula C13H8O4 and a molecular weight of 228.20 g/mol. Its IUPAC name is 2,2'-spirobi[1,3-benzodioxole].

Molecular Properties

Compound Name2,2'-spirobi[1,3-benzodioxole]
PubChem CID10977219
Molecular FormulaC13H8O4
Molecular Weight228.20 g/mol
Exact Mass228.04
IUPAC Name2,2'-spirobi[1,3-benzodioxole]
SMILESc1ccc2c(c1)OC1(O2)Oc2ccccc2O1
InChIInChI=1S/C13H8O4/c1-2-6-10-9(5-1)14-13(15-10)16-11-7-3-4-8-12(11)17-13/h1-8H
InChIKeyLPVNBSMANKMSDC-UHFFFAOYSA-N
XLogP2.54
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2'-spirobi[1,3-benzodioxole]?
The IUPAC name of 2,2'-spirobi[1,3-benzodioxole] (CID 10977219) is 2,2'-spirobi[1,3-benzodioxole].
What is the SMILES notation for 2,2'-spirobi[1,3-benzodioxole]?
The canonical SMILES for 2,2'-spirobi[1,3-benzodioxole] is c1ccc2c(c1)OC1(O2)Oc2ccccc2O1.
What is the InChIKey of 2,2'-spirobi[1,3-benzodioxole]?
The InChIKey is LPVNBSMANKMSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O4/c1-2-6-10-9(5-1)14-13(15-10)16-11-7-3-4-8-12(11)17-13/h1-8H.
What are the key properties of 2,2'-spirobi[1,3-benzodioxole]?
2,2'-spirobi[1,3-benzodioxole] has a molecular weight of 228.20 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2'-spirobi[1,3-benzodioxole] is sourced from PubChem (CID 10977219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).