sodium;hydride;2-[2-(2-nonylphenoxy)ethoxy]ethyl hydrogen sulfate

C19H33NaO6S — CID 173325044

IUPACsodium;hydride;2-[2-(2-nonylphenoxy)ethoxy]ethyl hydrogen sulfate
SMILESCCCCCCCCCc1ccccc1OCCOCCOS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C19H32O6S.Na.H/c1-2-3-4-5-6-7-8-11-18-12-9-10-13-19(18)24-16-14-23-15-17-25-26(20,21)22;;/h9-10,12-13H,2-8,11,14-17H2,1H3,(H,20,21,22);;/q;+1;-1
InChIKeyFIHLAKHWHDXNQB-UHFFFAOYSA-N
MW412.52 g/mol
LogP1.31
Rot. Bonds16

About sodium;hydride;2-[2-(2-nonylphenoxy)ethoxy]ethyl hydrogen sulfate

sodium;hydride;2-[2-(2-nonylphenoxy)ethoxy]ethyl hydrogen sulfate (PubChem CID 173325044) has the molecular formula C19H33NaO6S and a molecular weight of 412.52 g/mol. Its IUPAC name is sodium;hydride;2-[2-(2-nonylphenoxy)ethoxy]ethyl hydrogen sulfate.

Molecular Properties

Compound Namesodium;hydride;2-[2-(2-nonylphenoxy)ethoxy]ethyl hydrogen sulfate
PubChem CID173325044
Molecular FormulaC19H33NaO6S
Molecular Weight412.52 g/mol
Exact Mass412.19
IUPAC Namesodium;hydride;2-[2-(2-nonylphenoxy)ethoxy]ethyl hydrogen sulfate
SMILESCCCCCCCCCc1ccccc1OCCOCCOS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C19H32O6S.Na.H/c1-2-3-4-5-6-7-8-11-18-12-9-10-13-19(18)24-16-14-23-15-17-25-26(20,21)22;;/h9-10,12-13H,2-8,11,14-17H2,1H3,(H,20,21,22);;/q;+1;-1
InChIKeyFIHLAKHWHDXNQB-UHFFFAOYSA-N
XLogP1.31
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium 2-[2-(2-nonylphenoxy)ethoxy]ethyl sulfate
CID 161424912
2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethanol;sulfuric acid
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2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2,4-di(nonyl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
CID 14572973
2-[2-[2-[2-[2-[2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20520040
2-[2-(2-nonylphenoxy)ethoxy]ethyl octadecanoate
CID 3023197
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-heptyl-2-octadecoxybenzene
CID 139667653
copper;(2-nonylphenyl) hydrogen sulfate
CID 70922107
1-[2-(2-nonylphenoxy)ethoxy]propan-2-ol
CID 71396064
2-(2-dodecylphenoxy)ethanol
CID 14475097
1-butyl-2-nonoxybenzene
CID 118255282
azane;2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
CID 173063713

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-[2-(2-nonylphenoxy)ethoxy]ethyl hydrogen sulfate?
The IUPAC name of sodium;hydride;2-[2-(2-nonylphenoxy)ethoxy]ethyl hydrogen sulfate (CID 173325044) is sodium;hydride;2-[2-(2-nonylphenoxy)ethoxy]ethyl hydrogen sulfate.
What is the SMILES notation for sodium;hydride;2-[2-(2-nonylphenoxy)ethoxy]ethyl hydrogen sulfate?
The canonical SMILES for sodium;hydride;2-[2-(2-nonylphenoxy)ethoxy]ethyl hydrogen sulfate is CCCCCCCCCc1ccccc1OCCOCCOS(=O)(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-[2-(2-nonylphenoxy)ethoxy]ethyl hydrogen sulfate?
The InChIKey is FIHLAKHWHDXNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O6S.Na.H/c1-2-3-4-5-6-7-8-11-18-12-9-10-13-19(18)24-16-14-23-15-17-25-26(20,21)22;;/h9-10,12-13H,2-8,11,14-17H2,1H3,(H,20,21,22);;/q;+1;-1.
What are the key properties of sodium;hydride;2-[2-(2-nonylphenoxy)ethoxy]ethyl hydrogen sulfate?
sodium;hydride;2-[2-(2-nonylphenoxy)ethoxy]ethyl hydrogen sulfate has a molecular weight of 412.52 g/mol, XLogP of 1.31, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-[2-(2-nonylphenoxy)ethoxy]ethyl hydrogen sulfate is sourced from PubChem (CID 173325044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).