9-methylselanyl-9-borabicyclo[3.3.1]nonane

C9H17BSe — CID 578631

IUPAC9-methylselanyl-9-borabicyclo[3.3.1]nonane
SMILESC[Se]B1C2CCCC1CCC2
InChIInChI=1S/C9H17BSe/c1-11-10-8-4-2-5-9(10)7-3-6-8/h8-9H,2-7H2,1H3
InChIKeyMNKQSEPHOKBLQV-UHFFFAOYSA-N
MW215.01 g/mol
LogP2.84
Rot. Bonds1

About 9-methylselanyl-9-borabicyclo[3.3.1]nonane

9-methylselanyl-9-borabicyclo[3.3.1]nonane (PubChem CID 578631) has the molecular formula C9H17BSe and a molecular weight of 215.01 g/mol. Its IUPAC name is 9-methylselanyl-9-borabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-methylselanyl-9-borabicyclo[3.3.1]nonane
PubChem CID578631
Molecular FormulaC9H17BSe
Molecular Weight215.01 g/mol
Exact Mass216.06
IUPAC Name9-methylselanyl-9-borabicyclo[3.3.1]nonane
SMILESC[Se]B1C2CCCC1CCC2
InChIInChI=1S/C9H17BSe/c1-11-10-8-4-2-5-9(10)7-3-6-8/h8-9H,2-7H2,1H3
InChIKeyMNKQSEPHOKBLQV-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.01
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 9-methylselanyl-9-borabicyclo[3.3.1]nonane?
The IUPAC name of 9-methylselanyl-9-borabicyclo[3.3.1]nonane (CID 578631) is 9-methylselanyl-9-borabicyclo[3.3.1]nonane.
What is the SMILES notation for 9-methylselanyl-9-borabicyclo[3.3.1]nonane?
The canonical SMILES for 9-methylselanyl-9-borabicyclo[3.3.1]nonane is C[Se]B1C2CCCC1CCC2.
What is the InChIKey of 9-methylselanyl-9-borabicyclo[3.3.1]nonane?
The InChIKey is MNKQSEPHOKBLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BSe/c1-11-10-8-4-2-5-9(10)7-3-6-8/h8-9H,2-7H2,1H3.
What are the key properties of 9-methylselanyl-9-borabicyclo[3.3.1]nonane?
9-methylselanyl-9-borabicyclo[3.3.1]nonane has a molecular weight of 215.01 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylselanyl-9-borabicyclo[3.3.1]nonane is sourced from PubChem (CID 578631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).