sodium;hydride;12-phenyldodecanoic acid;selane

C18H31NaO2Se — CID 174847736

IUPACsodium;hydride;12-phenyldodecanoic acid;selane
SMILESO=C(O)CCCCCCCCCCCc1ccccc1.[H-].[Na+].[SeH2]
InChIInChI=1S/C18H28O2.Na.H2Se.H/c19-18(20)16-12-7-5-3-1-2-4-6-9-13-17-14-10-8-11-15-17;;;/h8,10-11,14-15H,1-7,9,12-13,16H2,(H,19,20);;1H2;/q;+1;;-1
InChIKeyQYBHGODKUQSGMM-UHFFFAOYSA-N
MW381.39 g/mol
LogP1.41
Rot. Bonds12

About sodium;hydride;12-phenyldodecanoic acid;selane

sodium;hydride;12-phenyldodecanoic acid;selane (PubChem CID 174847736) has the molecular formula C18H31NaO2Se and a molecular weight of 381.39 g/mol. Its IUPAC name is sodium;hydride;12-phenyldodecanoic acid;selane.

Molecular Properties

Compound Namesodium;hydride;12-phenyldodecanoic acid;selane
PubChem CID174847736
Molecular FormulaC18H31NaO2Se
Molecular Weight381.39 g/mol
Exact Mass382.14
IUPAC Namesodium;hydride;12-phenyldodecanoic acid;selane
SMILESO=C(O)CCCCCCCCCCCc1ccccc1.[H-].[Na+].[SeH2]
InChIInChI=1S/C18H28O2.Na.H2Se.H/c19-18(20)16-12-7-5-3-1-2-4-6-9-13-17-14-10-8-11-15-17;;;/h8,10-11,14-15H,1-7,9,12-13,16H2,(H,19,20);;1H2;/q;+1;;-1
InChIKeyQYBHGODKUQSGMM-UHFFFAOYSA-N
XLogP1.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.41
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

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CID 174846933
15-phenylpentadecanoic acid
CID 2737151
sodium;hydride;5-[5-(6-phenylhexyl)thiophen-2-yl]pentanoic acid
CID 173398907
pentadecanoic acid;3-phenylpropylbenzene
CID 158688900
diphenylphosphanium;5-phenylpentanoic acid
CID 142371989
1,9-diphenylnonan-5-one
CID 23467830
5-phenylpentanoic acid;2-phosphonoacetic acid
CID 67686040
20-(4-phenylsulfanylphenyl)icosanoic acid
CID 173410198
6-(4-phenylmethoxyphenyl)hexanoic acid
CID 138486172
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;18-phenyloctadecanoic acid
CID 68846605
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;12-phenyldodecanoic acid;selane?
The IUPAC name of sodium;hydride;12-phenyldodecanoic acid;selane (CID 174847736) is sodium;hydride;12-phenyldodecanoic acid;selane.
What is the SMILES notation for sodium;hydride;12-phenyldodecanoic acid;selane?
The canonical SMILES for sodium;hydride;12-phenyldodecanoic acid;selane is O=C(O)CCCCCCCCCCCc1ccccc1.[H-].[Na+].[SeH2].
What is the InChIKey of sodium;hydride;12-phenyldodecanoic acid;selane?
The InChIKey is QYBHGODKUQSGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2.Na.H2Se.H/c19-18(20)16-12-7-5-3-1-2-4-6-9-13-17-14-10-8-11-15-17;;;/h8,10-11,14-15H,1-7,9,12-13,16H2,(H,19,20);;1H2;/q;+1;;-1.
What are the key properties of sodium;hydride;12-phenyldodecanoic acid;selane?
sodium;hydride;12-phenyldodecanoic acid;selane has a molecular weight of 381.39 g/mol, XLogP of 1.41, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;12-phenyldodecanoic acid;selane is sourced from PubChem (CID 174847736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).