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

C24H16O8Si2 — CID 154732453

IUPAC2,2'-spirobi[1,3,2-benzodioxasilole]
SMILESc1ccc2c(c1)O[Si]1(O2)Oc2ccccc2O1.c1ccc2c(c1)O[Si]1(O2)Oc2ccccc2O1
InChIInChI=1S/2C12H8O4Si/c2*1-2-6-10-9(5-1)13-17(14-10)15-11-7-3-4-8-12(11)16-17/h2*1-8H
InChIKeyHLXXJRSMMFZHDU-UHFFFAOYSA-N
MW488.56 g/mol
LogP4.73
Rot. Bonds

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

2,2'-spirobi[1,3,2-benzodioxasilole] (PubChem CID 154732453) has the molecular formula C24H16O8Si2 and a molecular weight of 488.56 g/mol. Its IUPAC name is 2,2'-spirobi[1,3,2-benzodioxasilole].

Molecular Properties

Compound Name2,2'-spirobi[1,3,2-benzodioxasilole]
PubChem CID154732453
Molecular FormulaC24H16O8Si2
Molecular Weight488.56 g/mol
Exact Mass488.04
IUPAC Name2,2'-spirobi[1,3,2-benzodioxasilole]
SMILESc1ccc2c(c1)O[Si]1(O2)Oc2ccccc2O1.c1ccc2c(c1)O[Si]1(O2)Oc2ccccc2O1
InChIInChI=1S/2C12H8O4Si/c2*1-2-6-10-9(5-1)13-17(14-10)15-11-7-3-4-8-12(11)16-17/h2*1-8H
InChIKeyHLXXJRSMMFZHDU-UHFFFAOYSA-N
XLogP4.73
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.56
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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CID 174614993
1,4-benzodioxine
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2,2'-spirobi[1,3-benzodioxole]
CID 10977219
11,11-dimethyl-5H-benzo[d][1,3,2]benzodioxasilocine
CID 15790829
14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 139199451
benzene;1,3-benzodioxole
CID 158998325
1,3-benzodioxole;hydrobromide
CID 172797493
2,2-dimethyl-3,4-dihydro-1,4,2-benzoxazasiline
CID 123944874
CID 16693640
CID 16693640
CID 66705506
CID 66705506
1,3,2-benzodioxastannole 2-oxide
CID 70356717
2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),3,6,9,11,13,16,19,22,24-decaene
CID 57186040

Frequently Asked Questions

What is the IUPAC name of 2,2'-spirobi[1,3,2-benzodioxasilole]?
The IUPAC name of 2,2'-spirobi[1,3,2-benzodioxasilole] (CID 154732453) is 2,2'-spirobi[1,3,2-benzodioxasilole].
What is the SMILES notation for 2,2'-spirobi[1,3,2-benzodioxasilole]?
The canonical SMILES for 2,2'-spirobi[1,3,2-benzodioxasilole] is c1ccc2c(c1)O[Si]1(O2)Oc2ccccc2O1.c1ccc2c(c1)O[Si]1(O2)Oc2ccccc2O1.
What is the InChIKey of 2,2'-spirobi[1,3,2-benzodioxasilole]?
The InChIKey is HLXXJRSMMFZHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8O4Si/c2*1-2-6-10-9(5-1)13-17(14-10)15-11-7-3-4-8-12(11)16-17/h2*1-8H.
What are the key properties of 2,2'-spirobi[1,3,2-benzodioxasilole]?
2,2'-spirobi[1,3,2-benzodioxasilole] has a molecular weight of 488.56 g/mol, XLogP of 4.73, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2'-spirobi[1,3,2-benzodioxasilole] is sourced from PubChem (CID 154732453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).