sodium 10-hydroxyundecyl sulfate

C11H23NaO5S — CID 175188070

IUPACsodium 10-hydroxyundecyl sulfate
SMILESCC(O)CCCCCCCCCOS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C11H24O5S.Na/c1-11(12)9-7-5-3-2-4-6-8-10-16-17(13,14)15;/h11-12H,2-10H2,1H3,(H,13,14,15);/q;+1/p-1
InChIKeyQSXSUAYKEKTGDU-UHFFFAOYSA-M
MW290.36 g/mol
LogP-1.03
Rot. Bonds11

About sodium 10-hydroxyundecyl sulfate

sodium 10-hydroxyundecyl sulfate (PubChem CID 175188070) has the molecular formula C11H23NaO5S and a molecular weight of 290.36 g/mol. Its IUPAC name is sodium 10-hydroxyundecyl sulfate.

Molecular Properties

Compound Namesodium 10-hydroxyundecyl sulfate
PubChem CID175188070
Molecular FormulaC11H23NaO5S
Molecular Weight290.36 g/mol
Exact Mass290.12
IUPAC Namesodium 10-hydroxyundecyl sulfate
SMILESCC(O)CCCCCCCCCOS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C11H24O5S.Na/c1-11(12)9-7-5-3-2-4-6-8-10-16-17(13,14)15;/h11-12H,2-10H2,1H3,(H,13,14,15);/q;+1/p-1
InChIKeyQSXSUAYKEKTGDU-UHFFFAOYSA-M
XLogP-1.03
TPSA86.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 5-1.03
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'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

sodium 4-methyldodecyl sulfate
CID 58340697
disodium bis(hexadecyl sulfate)
CID 10394875
sodium tetradecyl sulfate
CID 23665770
sodium hexyl sulfate
CID 23678858
sodium heptacosyl sulfate
CID 155090064
sodium pentadecyl sulfate
CID 23700089
sodium;sulfuric acid;tetradecyl sulfate
CID 87772875
3-methyldecyl sulfate
CID 24796516
disodium;20-sulfonatooxyicosan-5-yl sulfate
CID 23426304
aluminum;sodium;dodecyl sulfate
CID 160751560
lithium 5-hydroxypentyl sulfate
CID 23563916
12-hydroxydodecyl sulfate
CID 167388974

Frequently Asked Questions

What is the IUPAC name of sodium 10-hydroxyundecyl sulfate?
The IUPAC name of sodium 10-hydroxyundecyl sulfate (CID 175188070) is sodium 10-hydroxyundecyl sulfate.
What is the SMILES notation for sodium 10-hydroxyundecyl sulfate?
The canonical SMILES for sodium 10-hydroxyundecyl sulfate is CC(O)CCCCCCCCCOS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium 10-hydroxyundecyl sulfate?
The InChIKey is QSXSUAYKEKTGDU-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H24O5S.Na/c1-11(12)9-7-5-3-2-4-6-8-10-16-17(13,14)15;/h11-12H,2-10H2,1H3,(H,13,14,15);/q;+1/p-1.
What are the key properties of sodium 10-hydroxyundecyl sulfate?
sodium 10-hydroxyundecyl sulfate has a molecular weight of 290.36 g/mol, XLogP of -1.03, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 10-hydroxyundecyl sulfate is sourced from PubChem (CID 175188070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).