sodium;dodecyl 2,2,2-trihydroxyethyl sulfate;hydride

C14H31NaO7S — CID 173442591

IUPACsodium;dodecyl 2,2,2-trihydroxyethyl sulfate;hydride
SMILESCCCCCCCCCCCCOS(=O)(=O)OCC(O)(O)O.[H-].[Na+]
InChIInChI=1S/C14H30O7S.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-20-22(18,19)21-13-14(15,16)17;;/h15-17H,2-13H2,1H3;;/q;+1;-1
InChIKeyDZHKEOLIDVAVCN-UHFFFAOYSA-N
MW366.45 g/mol
LogP-1.07
Rot. Bonds15

About sodium;dodecyl 2,2,2-trihydroxyethyl sulfate;hydride

sodium;dodecyl 2,2,2-trihydroxyethyl sulfate;hydride (PubChem CID 173442591) has the molecular formula C14H31NaO7S and a molecular weight of 366.45 g/mol. Its IUPAC name is sodium;dodecyl 2,2,2-trihydroxyethyl sulfate;hydride.

Molecular Properties

Compound Namesodium;dodecyl 2,2,2-trihydroxyethyl sulfate;hydride
PubChem CID173442591
Molecular FormulaC14H31NaO7S
Molecular Weight366.45 g/mol
Exact Mass366.17
IUPAC Namesodium;dodecyl 2,2,2-trihydroxyethyl sulfate;hydride
SMILESCCCCCCCCCCCCOS(=O)(=O)OCC(O)(O)O.[H-].[Na+]
InChIInChI=1S/C14H30O7S.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-20-22(18,19)21-13-14(15,16)17;;/h15-17H,2-13H2,1H3;;/q;+1;-1
InChIKeyDZHKEOLIDVAVCN-UHFFFAOYSA-N
XLogP-1.07
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

sodium;didodecyl sulfate;hydride;sulfuric acid
CID 174107474
sodium dihexadecyl sulfate
CID 23616668
ditetracosyl sulfate
CID 101286725
pentyl undecyl sulfate
CID 174900896
azanium didodecyl sulfate
CID 23617704
butyl hexadecyl sulfate
CID 174632644
magnesium dihexyl sulfate
CID 21125103
sodium;butanedioic acid;dioctyl sulfate;hydride
CID 174809362
dodecyl 12-hydroxydodecyl sulfate
CID 54032685
ethyl octyl sulfate
CID 22483719
bis(3-hexoxypropyl) sulfate
CID 139845289
sodium;dodecyl hydrogen sulfate;hydride
CID 173193135

Frequently Asked Questions

What is the IUPAC name of sodium;dodecyl 2,2,2-trihydroxyethyl sulfate;hydride?
The IUPAC name of sodium;dodecyl 2,2,2-trihydroxyethyl sulfate;hydride (CID 173442591) is sodium;dodecyl 2,2,2-trihydroxyethyl sulfate;hydride.
What is the SMILES notation for sodium;dodecyl 2,2,2-trihydroxyethyl sulfate;hydride?
The canonical SMILES for sodium;dodecyl 2,2,2-trihydroxyethyl sulfate;hydride is CCCCCCCCCCCCOS(=O)(=O)OCC(O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;dodecyl 2,2,2-trihydroxyethyl sulfate;hydride?
The InChIKey is DZHKEOLIDVAVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O7S.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-20-22(18,19)21-13-14(15,16)17;;/h15-17H,2-13H2,1H3;;/q;+1;-1.
What are the key properties of sodium;dodecyl 2,2,2-trihydroxyethyl sulfate;hydride?
sodium;dodecyl 2,2,2-trihydroxyethyl sulfate;hydride has a molecular weight of 366.45 g/mol, XLogP of -1.07, 15 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dodecyl 2,2,2-trihydroxyethyl sulfate;hydride is sourced from PubChem (CID 173442591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).