potassium 17-phenylheptadecaneselenoate

C23H37KOSe — CID 141480285

IUPACpotassium 17-phenylheptadecaneselenoate
SMILES[K+].[O-]C(=[Se])CCCCCCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C23H38OSe.K/c24-23(25)21-17-12-10-8-6-4-2-1-3-5-7-9-11-14-18-22-19-15-13-16-20-22;/h13,15-16,19-20H,1-12,14,17-18,21H2,(H,24,25);/q;+1/p-1
InChIKeyLLRMSBWYLLKOMB-UHFFFAOYSA-M
MW447.61 g/mol
LogP2.74
Rot. Bonds17

About potassium 17-phenylheptadecaneselenoate

potassium 17-phenylheptadecaneselenoate (PubChem CID 141480285) has the molecular formula C23H37KOSe and a molecular weight of 447.61 g/mol. Its IUPAC name is potassium 17-phenylheptadecaneselenoate.

Molecular Properties

Compound Namepotassium 17-phenylheptadecaneselenoate
PubChem CID141480285
Molecular FormulaC23H37KOSe
Molecular Weight447.61 g/mol
Exact Mass448.16
IUPAC Namepotassium 17-phenylheptadecaneselenoate
SMILES[K+].[O-]C(=[Se])CCCCCCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C23H38OSe.K/c24-23(25)21-17-12-10-8-6-4-2-1-3-5-7-9-11-14-18-22-19-15-13-16-20-22;/h13,15-16,19-20H,1-12,14,17-18,21H2,(H,24,25);/q;+1/p-1
InChIKeyLLRMSBWYLLKOMB-UHFFFAOYSA-M
XLogP2.74
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.61
LogP ≤ 52.74
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 8-phenyloctaneselenoate
CID 141480301
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 17-phenylheptadecaneselenoate?
The IUPAC name of potassium 17-phenylheptadecaneselenoate (CID 141480285) is potassium 17-phenylheptadecaneselenoate.
What is the SMILES notation for potassium 17-phenylheptadecaneselenoate?
The canonical SMILES for potassium 17-phenylheptadecaneselenoate is [K+].[O-]C(=[Se])CCCCCCCCCCCCCCCCc1ccccc1.
What is the InChIKey of potassium 17-phenylheptadecaneselenoate?
The InChIKey is LLRMSBWYLLKOMB-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H38OSe.K/c24-23(25)21-17-12-10-8-6-4-2-1-3-5-7-9-11-14-18-22-19-15-13-16-20-22;/h13,15-16,19-20H,1-12,14,17-18,21H2,(H,24,25);/q;+1/p-1.
What are the key properties of potassium 17-phenylheptadecaneselenoate?
potassium 17-phenylheptadecaneselenoate has a molecular weight of 447.61 g/mol, XLogP of 2.74, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 17-phenylheptadecaneselenoate is sourced from PubChem (CID 141480285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).