8-propyl-8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]

C15H15O4Si- — CID 138973780

IUPAC8-propyl-8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]
SMILESCCC[Si-]12(Oc3ccccc3O1)Oc1ccccc1O2
InChIInChI=1S/C15H15O4Si/c1-2-11-20(16-12-7-3-4-8-13(12)17-20)18-14-9-5-6-10-15(14)19-20/h3-10H,2,11H2,1H3/q-1
InChIKeyHCQVYOUHZCEKNX-UHFFFAOYSA-N
MW287.37 g/mol
LogP3.73
Rot. Bonds2

About 8-propyl-8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]

8-propyl-8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene] (PubChem CID 138973780) has the molecular formula C15H15O4Si- and a molecular weight of 287.37 g/mol. Its IUPAC name is 8-propyl-8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene].

Molecular Properties

Compound Name8-propyl-8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]
PubChem CID138973780
Molecular FormulaC15H15O4Si-
Molecular Weight287.37 g/mol
Exact Mass287.07
IUPAC Name8-propyl-8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]
SMILESCCC[Si-]12(Oc3ccccc3O1)Oc1ccccc1O2
InChIInChI=1S/C15H15O4Si/c1-2-11-20(16-12-7-3-4-8-13(12)17-20)18-14-9-5-6-10-15(14)19-20/h3-10H,2,11H2,1H3/q-1
InChIKeyHCQVYOUHZCEKNX-UHFFFAOYSA-N
XLogP3.73
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 53.73
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-propyl-8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]?
The IUPAC name of 8-propyl-8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene] (CID 138973780) is 8-propyl-8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene].
What is the SMILES notation for 8-propyl-8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]?
The canonical SMILES for 8-propyl-8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene] is CCC[Si-]12(Oc3ccccc3O1)Oc1ccccc1O2.
What is the InChIKey of 8-propyl-8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]?
The InChIKey is HCQVYOUHZCEKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15O4Si/c1-2-11-20(16-12-7-3-4-8-13(12)17-20)18-14-9-5-6-10-15(14)19-20/h3-10H,2,11H2,1H3/q-1.
What are the key properties of 8-propyl-8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]?
8-propyl-8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene] has a molecular weight of 287.37 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propyl-8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene] is sourced from PubChem (CID 138973780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).