8-(2-bicyclo[2.2.1]heptanyl)-8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]

C19H19O4Si- — CID 138973317

IUPAC8-(2-bicyclo[2.2.1]heptanyl)-8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]
SMILESc1ccc2c(c1)O[Si-]1(C3CC4CCC3C4)(O2)Oc2ccccc2O1
InChIInChI=1S/C19H19O4Si/c1-2-6-16-15(5-1)20-24(21-16,19-12-13-9-10-14(19)11-13)22-17-7-3-4-8-18(17)23-24/h1-8,13-14,19H,9-12H2/q-1
InChIKeyUZRAROJUSCNPRS-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.51
Rot. Bonds1

About 8-(2-bicyclo[2.2.1]heptanyl)-8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]

8-(2-bicyclo[2.2.1]heptanyl)-8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene] (PubChem CID 138973317) has the molecular formula C19H19O4Si- and a molecular weight of 339.44 g/mol. Its IUPAC name is 8-(2-bicyclo[2.2.1]heptanyl)-8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene].

Molecular Properties

Compound Name8-(2-bicyclo[2.2.1]heptanyl)-8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]
PubChem CID138973317
Molecular FormulaC19H19O4Si-
Molecular Weight339.44 g/mol
Exact Mass339.11
IUPAC Name8-(2-bicyclo[2.2.1]heptanyl)-8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]
SMILESc1ccc2c(c1)O[Si-]1(C3CC4CCC3C4)(O2)Oc2ccccc2O1
InChIInChI=1S/C19H19O4Si/c1-2-6-16-15(5-1)20-24(21-16,19-12-13-9-10-14(19)11-13)22-17-7-3-4-8-18(17)23-24/h1-8,13-14,19H,9-12H2/q-1
InChIKeyUZRAROJUSCNPRS-UHFFFAOYSA-N
XLogP4.51
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2-bicyclo[2.2.1]heptanyl)-8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]?
The IUPAC name of 8-(2-bicyclo[2.2.1]heptanyl)-8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene] (CID 138973317) is 8-(2-bicyclo[2.2.1]heptanyl)-8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene].
What is the SMILES notation for 8-(2-bicyclo[2.2.1]heptanyl)-8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]?
The canonical SMILES for 8-(2-bicyclo[2.2.1]heptanyl)-8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene] is c1ccc2c(c1)O[Si-]1(C3CC4CCC3C4)(O2)Oc2ccccc2O1.
What is the InChIKey of 8-(2-bicyclo[2.2.1]heptanyl)-8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]?
The InChIKey is UZRAROJUSCNPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19O4Si/c1-2-6-16-15(5-1)20-24(21-16,19-12-13-9-10-14(19)11-13)22-17-7-3-4-8-18(17)23-24/h1-8,13-14,19H,9-12H2/q-1.
What are the key properties of 8-(2-bicyclo[2.2.1]heptanyl)-8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]?
8-(2-bicyclo[2.2.1]heptanyl)-8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene] has a molecular weight of 339.44 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-bicyclo[2.2.1]heptanyl)-8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene] is sourced from PubChem (CID 138973317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).