sodium 8-phenyloctaneselenoate

C14H19NaOSe — CID 141480312

IUPACsodium 8-phenyloctaneselenoate
SMILES[Na+].[O-]C(=[Se])CCCCCCCc1ccccc1
InChIInChI=1S/C14H20OSe.Na/c15-14(16)12-8-3-1-2-5-9-13-10-6-4-7-11-13;/h4,6-7,10-11H,1-3,5,8-9,12H2,(H,15,16);/q;+1/p-1
InChIKeyRMZFLCQLHQCDRH-UHFFFAOYSA-M
MW305.25 g/mol
LogP-0.77
Rot. Bonds8

About sodium 8-phenyloctaneselenoate

sodium 8-phenyloctaneselenoate (PubChem CID 141480312) has the molecular formula C14H19NaOSe and a molecular weight of 305.25 g/mol. Its IUPAC name is sodium 8-phenyloctaneselenoate.

Molecular Properties

Compound Namesodium 8-phenyloctaneselenoate
PubChem CID141480312
Molecular FormulaC14H19NaOSe
Molecular Weight305.25 g/mol
Exact Mass306.05
IUPAC Namesodium 8-phenyloctaneselenoate
SMILES[Na+].[O-]C(=[Se])CCCCCCCc1ccccc1
InChIInChI=1S/C14H20OSe.Na/c15-14(16)12-8-3-1-2-5-9-13-10-6-4-7-11-13;/h4,6-7,10-11H,1-3,5,8-9,12H2,(H,15,16);/q;+1/p-1
InChIKeyRMZFLCQLHQCDRH-UHFFFAOYSA-M
XLogP-0.77
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 5-0.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

potassium 17-phenylheptadecaneselenoate
CID 141480285
potassium 8-phenyloctaneselenoate
CID 141480301
potassium 15-phenylpentadecanoate
CID 23717018
15-phenylpentadecanoic acid
CID 2737151
4-phenylbutylbenzene
CID 141301927
sodium;hydride;15-phenylpentadecanoic acid;selane
CID 174846933
sodium;hydride;12-phenyldodecanoic acid;selane
CID 174847736
1,9-diphenylnonan-5-one
CID 23467830
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
2-methyl-9-phenylnonan-3-one
CID 58366233
disodium;dodecylbenzene;hydrogen sulfate;octadecanoate
CID 67779751

Frequently Asked Questions

What is the IUPAC name of sodium 8-phenyloctaneselenoate?
The IUPAC name of sodium 8-phenyloctaneselenoate (CID 141480312) is sodium 8-phenyloctaneselenoate.
What is the SMILES notation for sodium 8-phenyloctaneselenoate?
The canonical SMILES for sodium 8-phenyloctaneselenoate is [Na+].[O-]C(=[Se])CCCCCCCc1ccccc1.
What is the InChIKey of sodium 8-phenyloctaneselenoate?
The InChIKey is RMZFLCQLHQCDRH-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H20OSe.Na/c15-14(16)12-8-3-1-2-5-9-13-10-6-4-7-11-13;/h4,6-7,10-11H,1-3,5,8-9,12H2,(H,15,16);/q;+1/p-1.
What are the key properties of sodium 8-phenyloctaneselenoate?
sodium 8-phenyloctaneselenoate has a molecular weight of 305.25 g/mol, XLogP of -0.77, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 8-phenyloctaneselenoate is sourced from PubChem (CID 141480312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).