sodium 8-methylnonyl sulfate

C10H21NaO4S — CID 23668684

IUPACsodium 8-methylnonyl sulfate
SMILESCC(C)CCCCCCCOS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C10H22O4S.Na/c1-10(2)8-6-4-3-5-7-9-14-15(11,12)13;/h10H,3-9H2,1-2H3,(H,11,12,13);/q;+1/p-1
InChIKeySNTJMTFJNVQDSN-UHFFFAOYSA-M
MW260.33 g/mol
LogP-0.54
Rot. Bonds9

About sodium 8-methylnonyl sulfate

sodium 8-methylnonyl sulfate (PubChem CID 23668684) has the molecular formula C10H21NaO4S and a molecular weight of 260.33 g/mol. Its IUPAC name is sodium 8-methylnonyl sulfate.

Molecular Properties

Compound Namesodium 8-methylnonyl sulfate
PubChem CID23668684
Molecular FormulaC10H21NaO4S
Molecular Weight260.33 g/mol
Exact Mass260.11
IUPAC Namesodium 8-methylnonyl sulfate
SMILESCC(C)CCCCCCCOS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C10H22O4S.Na/c1-10(2)8-6-4-3-5-7-9-14-15(11,12)13;/h10H,3-9H2,1-2H3,(H,11,12,13);/q;+1/p-1
InChIKeySNTJMTFJNVQDSN-UHFFFAOYSA-M
XLogP-0.54
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 5-0.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 Lauryl Sulfate
CID 3423265
Sodium Tetradecyl Sulfate
CID 23665772
Sodium Myristyl Sulfate
CID 23665770
Sodium Tridecyl Sulfate
CID 23668353
Sodium Ethasulfate
CID 23662383
Sodium Decyl Sulfate
CID 23665771
Sodium nonyl sulfate
CID 23677967
Sodium Octyl Sulfate
CID 2735107
Tetradecyl hydrogen sulfate (ester)
CID 8771
6-Tridecanol, 3,9-diethyl-, hydrogen sulfate, sodium salt
CID 23719524
Sodium isononyl sulfate
CID 23689129
Sodium pentadecyl sulfate
CID 23700089

Frequently Asked Questions

What is the IUPAC name of sodium 8-methylnonyl sulfate?
The IUPAC name of sodium 8-methylnonyl sulfate (CID 23668684) is sodium 8-methylnonyl sulfate.
What is the SMILES notation for sodium 8-methylnonyl sulfate?
The canonical SMILES for sodium 8-methylnonyl sulfate is CC(C)CCCCCCCOS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium 8-methylnonyl sulfate?
The InChIKey is SNTJMTFJNVQDSN-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H22O4S.Na/c1-10(2)8-6-4-3-5-7-9-14-15(11,12)13;/h10H,3-9H2,1-2H3,(H,11,12,13);/q;+1/p-1.
What are the key properties of sodium 8-methylnonyl sulfate?
sodium 8-methylnonyl sulfate has a molecular weight of 260.33 g/mol, XLogP of -0.54, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 8-methylnonyl sulfate is sourced from PubChem (CID 23668684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).