sodium;1-dodecoxyethoxy ethyl sulfate;hydride

C16H35NaO6S — CID 173150182

IUPACsodium;1-dodecoxyethoxy ethyl sulfate;hydride
SMILESCCCCCCCCCCCCOC(C)OOS(=O)(=O)OCC.[H-].[Na+]
InChIInChI=1S/C16H34O6S.Na.H/c1-4-6-7-8-9-10-11-12-13-14-15-19-16(3)21-22-23(17,18)20-5-2;;/h16H,4-15H2,1-3H3;;/q;+1;-1
InChIKeyJSDUFWBEQYQJFX-UHFFFAOYSA-N
MW378.51 g/mol
LogP1.62
Rot. Bonds17

About sodium;1-dodecoxyethoxy ethyl sulfate;hydride

sodium;1-dodecoxyethoxy ethyl sulfate;hydride (PubChem CID 173150182) has the molecular formula C16H35NaO6S and a molecular weight of 378.51 g/mol. Its IUPAC name is sodium;1-dodecoxyethoxy ethyl sulfate;hydride.

Molecular Properties

Compound Namesodium;1-dodecoxyethoxy ethyl sulfate;hydride
PubChem CID173150182
Molecular FormulaC16H35NaO6S
Molecular Weight378.51 g/mol
Exact Mass378.21
IUPAC Namesodium;1-dodecoxyethoxy ethyl sulfate;hydride
SMILESCCCCCCCCCCCCOC(C)OOS(=O)(=O)OCC.[H-].[Na+]
InChIInChI=1S/C16H34O6S.Na.H/c1-4-6-7-8-9-10-11-12-13-14-15-19-16(3)21-22-23(17,18)20-5-2;;/h16H,4-15H2,1-3H3;;/q;+1;-1
InChIKeyJSDUFWBEQYQJFX-UHFFFAOYSA-N
XLogP1.62
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

ethyl hexoxy sulfate
CID 174871914
sodium;ethyl octadecan-9-yloxy sulfate;hydride
CID 174994159
ethyl octyl sulfate
CID 22483719
CID 88731684
CID 88731684
CID 87817922
CID 87817922
disodium;dodecyl ethoxy sulfate;1,2,3,4,5,6-hexachlorocyclohexane;hydride
CID 173417436
1-dodecoxyethyl hydrogen sulfate
CID 20975887
sodium dihexadecyl sulfate
CID 23616668
2-ethoxyethyl undecoxy sulfate
CID 142735566
sodium 1-(1-dodecoxyethoxy)ethyl sulfate
CID 23719523
lithium;difluoromethoxy ethyl sulfate;hydride
CID 174759627
bis(1-butoxyethyl) sulfate
CID 88713543

Frequently Asked Questions

What is the IUPAC name of sodium;1-dodecoxyethoxy ethyl sulfate;hydride?
The IUPAC name of sodium;1-dodecoxyethoxy ethyl sulfate;hydride (CID 173150182) is sodium;1-dodecoxyethoxy ethyl sulfate;hydride.
What is the SMILES notation for sodium;1-dodecoxyethoxy ethyl sulfate;hydride?
The canonical SMILES for sodium;1-dodecoxyethoxy ethyl sulfate;hydride is CCCCCCCCCCCCOC(C)OOS(=O)(=O)OCC.[H-].[Na+].
What is the InChIKey of sodium;1-dodecoxyethoxy ethyl sulfate;hydride?
The InChIKey is JSDUFWBEQYQJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O6S.Na.H/c1-4-6-7-8-9-10-11-12-13-14-15-19-16(3)21-22-23(17,18)20-5-2;;/h16H,4-15H2,1-3H3;;/q;+1;-1.
What are the key properties of sodium;1-dodecoxyethoxy ethyl sulfate;hydride?
sodium;1-dodecoxyethoxy ethyl sulfate;hydride has a molecular weight of 378.51 g/mol, XLogP of 1.62, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-dodecoxyethoxy ethyl sulfate;hydride is sourced from PubChem (CID 173150182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).