1-methylselanylnaphthalene

C11H10Se — CID 13334243

IUPAC1-methylselanylnaphthalene
SMILESC[Se]c1cccc2ccccc12
InChIInChI=1S/C11H10Se/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
InChIKeyCXTBGBOIEWVMCT-UHFFFAOYSA-N
MW221.16 g/mol
LogP2.22
Rot. Bonds1

About 1-methylselanylnaphthalene

1-methylselanylnaphthalene (PubChem CID 13334243) has the molecular formula C11H10Se and a molecular weight of 221.16 g/mol. Its IUPAC name is 1-methylselanylnaphthalene.

Molecular Properties

Compound Name1-methylselanylnaphthalene
PubChem CID13334243
Molecular FormulaC11H10Se
Molecular Weight221.16 g/mol
Exact Mass221.99
IUPAC Name1-methylselanylnaphthalene
SMILESC[Se]c1cccc2ccccc12
InChIInChI=1S/C11H10Se/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
InChIKeyCXTBGBOIEWVMCT-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.16
LogP ≤ 52.22
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 1-methylselanylnaphthalene?
The IUPAC name of 1-methylselanylnaphthalene (CID 13334243) is 1-methylselanylnaphthalene.
What is the SMILES notation for 1-methylselanylnaphthalene?
The canonical SMILES for 1-methylselanylnaphthalene is C[Se]c1cccc2ccccc12.
What is the InChIKey of 1-methylselanylnaphthalene?
The InChIKey is CXTBGBOIEWVMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Se/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3.
What are the key properties of 1-methylselanylnaphthalene?
1-methylselanylnaphthalene has a molecular weight of 221.16 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylselanylnaphthalene is sourced from PubChem (CID 13334243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).