sodium;2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;hydride

C18H39NaO4 — CID 173019148

IUPACsodium;2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;hydride
SMILESCCCCCCCCCCCCOCCOCCOCCO.[H-].[Na+]
InChIInChI=1S/C18H38O4.Na.H/c1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-22-18-16-21-14-12-19;;/h19H,2-18H2,1H3;;/q;+1;-1
InChIKeyWIILWSRAQIDCNI-UHFFFAOYSA-N
MW342.50 g/mol
LogP1.07
Rot. Bonds19

About sodium;2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;hydride

sodium;2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;hydride (PubChem CID 173019148) has the molecular formula C18H39NaO4 and a molecular weight of 342.50 g/mol. Its IUPAC name is sodium;2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;hydride.

Molecular Properties

Compound Namesodium;2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;hydride
PubChem CID173019148
Molecular FormulaC18H39NaO4
Molecular Weight342.50 g/mol
Exact Mass342.27
IUPAC Namesodium;2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;hydride
SMILESCCCCCCCCCCCCOCCOCCOCCO.[H-].[Na+]
InChIInChI=1S/C18H38O4.Na.H/c1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-22-18-16-21-14-12-19;;/h19H,2-18H2,1H3;;/q;+1;-1
InChIKeyWIILWSRAQIDCNI-UHFFFAOYSA-N
XLogP1.07
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.50
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-(2-heptadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 15607546
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595918
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594676
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595729
2-[2-(12-octadecoxydodecoxy)ethoxy]ethanol
CID 169016922
2-[2-(2-hexadecoxyethoxy)ethoxy]ethanol
CID 4639427
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-nonoxynonane
CID 22211981
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-pentadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139597034
2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;hydrobromide
CID 172741236
2-dodecoxyethanol
CID 24750
2-heptoxyethanol
CID 23889
2-tetradecoxyethanol
CID 16491

Frequently Asked Questions

What is the IUPAC name of sodium;2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;hydride?
The IUPAC name of sodium;2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;hydride (CID 173019148) is sodium;2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;hydride.
What is the SMILES notation for sodium;2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;hydride?
The canonical SMILES for sodium;2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;hydride is CCCCCCCCCCCCOCCOCCOCCO.[H-].[Na+].
What is the InChIKey of sodium;2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;hydride?
The InChIKey is WIILWSRAQIDCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O4.Na.H/c1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-22-18-16-21-14-12-19;;/h19H,2-18H2,1H3;;/q;+1;-1.
What are the key properties of sodium;2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;hydride?
sodium;2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;hydride has a molecular weight of 342.50 g/mol, XLogP of 1.07, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;hydride is sourced from PubChem (CID 173019148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).