sodium;hydride;2-(2-phenylethylselanyl)ethylbenzene

C16H19NaSe — CID 173389810

IUPACsodium;hydride;2-(2-phenylethylselanyl)ethylbenzene
SMILES[H-].[Na+].c1ccc(CC[Se]CCc2ccccc2)cc1
InChIInChI=1S/C16H18Se.Na.H/c1-3-7-15(8-4-1)11-13-17-14-12-16-9-5-2-6-10-16;;/h1-10H,11-14H2;;/q;+1;-1
InChIKeyBAJMILBWPIRVQE-UHFFFAOYSA-N
MW313.28 g/mol
LogP1.13
Rot. Bonds6

About sodium;hydride;2-(2-phenylethylselanyl)ethylbenzene

sodium;hydride;2-(2-phenylethylselanyl)ethylbenzene (PubChem CID 173389810) has the molecular formula C16H19NaSe and a molecular weight of 313.28 g/mol. Its IUPAC name is sodium;hydride;2-(2-phenylethylselanyl)ethylbenzene.

Molecular Properties

Compound Namesodium;hydride;2-(2-phenylethylselanyl)ethylbenzene
PubChem CID173389810
Molecular FormulaC16H19NaSe
Molecular Weight313.28 g/mol
Exact Mass314.05
IUPAC Namesodium;hydride;2-(2-phenylethylselanyl)ethylbenzene
SMILES[H-].[Na+].c1ccc(CC[Se]CCc2ccccc2)cc1
InChIInChI=1S/C16H18Se.Na.H/c1-3-7-15(8-4-1)11-13-17-14-12-16-9-5-2-6-10-16;;/h1-10H,11-14H2;;/q;+1;-1
InChIKeyBAJMILBWPIRVQE-UHFFFAOYSA-N
XLogP1.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzene;2-phenylethylbenzene
CID 18982764
sodium;hydride;2-phenylethaneselenol
CID 173389811
hafnium;2-phenylethylbenzene
CID 173109801
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278
4-phenylbutylbenzene
CID 141301927
methane;4-phenylbutylbenzene
CID 173386802
1,4-bis(3-phenylpropyl)benzene
CID 59467322
hafnium;4-phenylbutylbenzene
CID 175889972
ethane;methane;2-phenylethylbenzene
CID 158652330
CID 159131095
CID 159131095
potassium;hydride;propylbenzene
CID 174749122
sodium;hydride;pentadecylbenzene
CID 173461904

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-(2-phenylethylselanyl)ethylbenzene?
The IUPAC name of sodium;hydride;2-(2-phenylethylselanyl)ethylbenzene (CID 173389810) is sodium;hydride;2-(2-phenylethylselanyl)ethylbenzene.
What is the SMILES notation for sodium;hydride;2-(2-phenylethylselanyl)ethylbenzene?
The canonical SMILES for sodium;hydride;2-(2-phenylethylselanyl)ethylbenzene is [H-].[Na+].c1ccc(CC[Se]CCc2ccccc2)cc1.
What is the InChIKey of sodium;hydride;2-(2-phenylethylselanyl)ethylbenzene?
The InChIKey is BAJMILBWPIRVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Se.Na.H/c1-3-7-15(8-4-1)11-13-17-14-12-16-9-5-2-6-10-16;;/h1-10H,11-14H2;;/q;+1;-1.
What are the key properties of sodium;hydride;2-(2-phenylethylselanyl)ethylbenzene?
sodium;hydride;2-(2-phenylethylselanyl)ethylbenzene has a molecular weight of 313.28 g/mol, XLogP of 1.13, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-(2-phenylethylselanyl)ethylbenzene is sourced from PubChem (CID 173389810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).