sodium;2-ethoxydodecane;hydride;sulfuric acid

C14H33NaO5S — CID 173094460

IUPACsodium;2-ethoxydodecane;hydride;sulfuric acid
SMILESCCCCCCCCCCC(C)OCC.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C14H30O.Na.H2O4S.H/c1-4-6-7-8-9-10-11-12-13-14(3)15-5-2;;1-5(2,3)4;/h14H,4-13H2,1-3H3;;(H2,1,2,3,4);/q;+1;;-1
InChIKeyYUVCQRGKELBTLO-UHFFFAOYSA-N
MW336.47 g/mol
LogP1.41
Rot. Bonds11

About sodium;2-ethoxydodecane;hydride;sulfuric acid

sodium;2-ethoxydodecane;hydride;sulfuric acid (PubChem CID 173094460) has the molecular formula C14H33NaO5S and a molecular weight of 336.47 g/mol. Its IUPAC name is sodium;2-ethoxydodecane;hydride;sulfuric acid.

Molecular Properties

Compound Namesodium;2-ethoxydodecane;hydride;sulfuric acid
PubChem CID173094460
Molecular FormulaC14H33NaO5S
Molecular Weight336.47 g/mol
Exact Mass336.19
IUPAC Namesodium;2-ethoxydodecane;hydride;sulfuric acid
SMILESCCCCCCCCCCC(C)OCC.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C14H30O.Na.H2O4S.H/c1-4-6-7-8-9-10-11-12-13-14(3)15-5-2;;1-5(2,3)4;/h14H,4-13H2,1-3H3;;(H2,1,2,3,4);/q;+1;;-1
InChIKeyYUVCQRGKELBTLO-UHFFFAOYSA-N
XLogP1.41
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-ethoxytridecane
CID 54143367
2-decan-2-yloxyethanol;sulfuric acid
CID 158151690
sulfuric acid;O-tetradecan-2-ylhydroxylamine
CID 88818461
4-ethoxydodecane;sulfuric acid
CID 87841741
[(2R)-dodecan-2-yl] hydrogen sulfate
CID 101191211
sodium;hydride;sulfuric acid;undecane
CID 172996516
magnesium;disodium;dodecane;hydride;sulfuric acid
CID 175302264
sodium;sulfuric acid;tetradecane
CID 170922474
pentadecan-2-yloxy hydrogen sulfate
CID 141299073
octan-2-yloxymethanol
CID 57306212
dodecan-2-amine;ethyl hydrogen sulfate
CID 173229278
heptane;propan-2-ol;sulfuric acid
CID 87329461

Frequently Asked Questions

What is the IUPAC name of sodium;2-ethoxydodecane;hydride;sulfuric acid?
The IUPAC name of sodium;2-ethoxydodecane;hydride;sulfuric acid (CID 173094460) is sodium;2-ethoxydodecane;hydride;sulfuric acid.
What is the SMILES notation for sodium;2-ethoxydodecane;hydride;sulfuric acid?
The canonical SMILES for sodium;2-ethoxydodecane;hydride;sulfuric acid is CCCCCCCCCCC(C)OCC.O=S(=O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;2-ethoxydodecane;hydride;sulfuric acid?
The InChIKey is YUVCQRGKELBTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O.Na.H2O4S.H/c1-4-6-7-8-9-10-11-12-13-14(3)15-5-2;;1-5(2,3)4;/h14H,4-13H2,1-3H3;;(H2,1,2,3,4);/q;+1;;-1.
What are the key properties of sodium;2-ethoxydodecane;hydride;sulfuric acid?
sodium;2-ethoxydodecane;hydride;sulfuric acid has a molecular weight of 336.47 g/mol, XLogP of 1.41, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-ethoxydodecane;hydride;sulfuric acid is sourced from PubChem (CID 173094460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).