potassium 8-phenyloctaneselenoate

C14H19KOSe — CID 141480301

IUPACpotassium 8-phenyloctaneselenoate
SMILES[K+].[O-]C(=[Se])CCCCCCCc1ccccc1
InChIInChI=1S/C14H20OSe.K/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
InChIKeyKKNWHNAVXFNMJA-UHFFFAOYSA-M
MW321.36 g/mol
LogP-0.77
Rot. Bonds8

About potassium 8-phenyloctaneselenoate

potassium 8-phenyloctaneselenoate (PubChem CID 141480301) has the molecular formula C14H19KOSe and a molecular weight of 321.36 g/mol. Its IUPAC name is potassium 8-phenyloctaneselenoate.

Molecular Properties

Compound Namepotassium 8-phenyloctaneselenoate
PubChem CID141480301
Molecular FormulaC14H19KOSe
Molecular Weight321.36 g/mol
Exact Mass322.02
IUPAC Namepotassium 8-phenyloctaneselenoate
SMILES[K+].[O-]C(=[Se])CCCCCCCc1ccccc1
InChIInChI=1S/C14H20OSe.K/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
InChIKeyKKNWHNAVXFNMJA-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 ≤ 500321.36
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
sodium 8-phenyloctaneselenoate
CID 141480312
potassium 15-phenylpentadecanoate
CID 23717018
15-phenylpentadecanoic acid
CID 2737151
4-phenylbutylbenzene
CID 141301927
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
sodium;hydride;15-phenylpentadecanoic acid;selane
CID 174846933
sodium;hydride;12-phenyldodecanoic acid;selane
CID 174847736
hexylbenzene;hydrogen peroxide
CID 90001206

Frequently Asked Questions

What is the IUPAC name of potassium 8-phenyloctaneselenoate?
The IUPAC name of potassium 8-phenyloctaneselenoate (CID 141480301) is potassium 8-phenyloctaneselenoate.
What is the SMILES notation for potassium 8-phenyloctaneselenoate?
The canonical SMILES for potassium 8-phenyloctaneselenoate is [K+].[O-]C(=[Se])CCCCCCCc1ccccc1.
What is the InChIKey of potassium 8-phenyloctaneselenoate?
The InChIKey is KKNWHNAVXFNMJA-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H20OSe.K/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 potassium 8-phenyloctaneselenoate?
potassium 8-phenyloctaneselenoate has a molecular weight of 321.36 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 potassium 8-phenyloctaneselenoate is sourced from PubChem (CID 141480301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).