sodium;hydride;15-phenylpentadecanoic acid;selane

C21H37NaO2Se — CID 174846933

IUPACsodium;hydride;15-phenylpentadecanoic acid;selane
SMILESO=C(O)CCCCCCCCCCCCCCc1ccccc1.[H-].[Na+].[SeH2]
InChIInChI=1S/C21H34O2.Na.H2Se.H/c22-21(23)19-15-10-8-6-4-2-1-3-5-7-9-12-16-20-17-13-11-14-18-20;;;/h11,13-14,17-18H,1-10,12,15-16,19H2,(H,22,23);;1H2;/q;+1;;-1
InChIKeySMUCINKEGYRZJD-UHFFFAOYSA-N
MW423.48 g/mol
LogP2.59
Rot. Bonds15

About sodium;hydride;15-phenylpentadecanoic acid;selane

sodium;hydride;15-phenylpentadecanoic acid;selane (PubChem CID 174846933) has the molecular formula C21H37NaO2Se and a molecular weight of 423.48 g/mol. Its IUPAC name is sodium;hydride;15-phenylpentadecanoic acid;selane.

Molecular Properties

Compound Namesodium;hydride;15-phenylpentadecanoic acid;selane
PubChem CID174846933
Molecular FormulaC21H37NaO2Se
Molecular Weight423.48 g/mol
Exact Mass424.19
IUPAC Namesodium;hydride;15-phenylpentadecanoic acid;selane
SMILESO=C(O)CCCCCCCCCCCCCCc1ccccc1.[H-].[Na+].[SeH2]
InChIInChI=1S/C21H34O2.Na.H2Se.H/c22-21(23)19-15-10-8-6-4-2-1-3-5-7-9-12-16-20-17-13-11-14-18-20;;;/h11,13-14,17-18H,1-10,12,15-16,19H2,(H,22,23);;1H2;/q;+1;;-1
InChIKeySMUCINKEGYRZJD-UHFFFAOYSA-N
XLogP2.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
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

sodium;hydride;12-phenyldodecanoic acid;selane
CID 174847736
15-phenylpentadecanoic acid
CID 2737151
sodium;hydride;5-[5-(6-phenylhexyl)thiophen-2-yl]pentanoic acid
CID 173398907
diphenylphosphanium;5-phenylpentanoic acid
CID 142371989
pentadecanoic acid;3-phenylpropylbenzene
CID 158688900
1,9-diphenylnonan-5-one
CID 23467830
20-(4-phenylsulfanylphenyl)icosanoic acid
CID 173410198
5-phenylpentanoic acid;2-phosphonoacetic acid
CID 67686040
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;18-phenyloctadecanoic acid
CID 68846605
6-(4-phenylmethoxyphenyl)hexanoic acid
CID 138486172
4-(5-phenylpentylcarbamoylamino)butanoic acid
CID 122000470
10-(4-methylphenyl)decanoic acid
CID 54262490

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;15-phenylpentadecanoic acid;selane?
The IUPAC name of sodium;hydride;15-phenylpentadecanoic acid;selane (CID 174846933) is sodium;hydride;15-phenylpentadecanoic acid;selane.
What is the SMILES notation for sodium;hydride;15-phenylpentadecanoic acid;selane?
The canonical SMILES for sodium;hydride;15-phenylpentadecanoic acid;selane is O=C(O)CCCCCCCCCCCCCCc1ccccc1.[H-].[Na+].[SeH2].
What is the InChIKey of sodium;hydride;15-phenylpentadecanoic acid;selane?
The InChIKey is SMUCINKEGYRZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O2.Na.H2Se.H/c22-21(23)19-15-10-8-6-4-2-1-3-5-7-9-12-16-20-17-13-11-14-18-20;;;/h11,13-14,17-18H,1-10,12,15-16,19H2,(H,22,23);;1H2;/q;+1;;-1.
What are the key properties of sodium;hydride;15-phenylpentadecanoic acid;selane?
sodium;hydride;15-phenylpentadecanoic acid;selane has a molecular weight of 423.48 g/mol, XLogP of 2.59, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;15-phenylpentadecanoic acid;selane is sourced from PubChem (CID 174846933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).