2-ethoxynonane-2-thiolate

C11H23OS- — CID 134893047

IUPAC2-ethoxynonane-2-thiolate
SMILESCCCCCCCC(C)([S-])OCC
InChIInChI=1S/C11H24OS/c1-4-6-7-8-9-10-11(3,13)12-5-2/h13H,4-10H2,1-3H3/p-1
InChIKeyCFKRHCXUMIOMMV-UHFFFAOYSA-M
MW203.37 g/mol
LogP3.65
Rot. Bonds8

About 2-ethoxynonane-2-thiolate

2-ethoxynonane-2-thiolate (PubChem CID 134893047) has the molecular formula C11H23OS- and a molecular weight of 203.37 g/mol. Its IUPAC name is 2-ethoxynonane-2-thiolate.

Molecular Properties

Compound Name2-ethoxynonane-2-thiolate
PubChem CID134893047
Molecular FormulaC11H23OS-
Molecular Weight203.37 g/mol
Exact Mass203.15
IUPAC Name2-ethoxynonane-2-thiolate
SMILESCCCCCCCC(C)([S-])OCC
InChIInChI=1S/C11H24OS/c1-4-6-7-8-9-10-11(3,13)12-5-2/h13H,4-10H2,1-3H3/p-1
InChIKeyCFKRHCXUMIOMMV-UHFFFAOYSA-M
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.37
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxynonane-2-thiolate?
The IUPAC name of 2-ethoxynonane-2-thiolate (CID 134893047) is 2-ethoxynonane-2-thiolate.
What is the SMILES notation for 2-ethoxynonane-2-thiolate?
The canonical SMILES for 2-ethoxynonane-2-thiolate is CCCCCCCC(C)([S-])OCC.
What is the InChIKey of 2-ethoxynonane-2-thiolate?
The InChIKey is CFKRHCXUMIOMMV-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H24OS/c1-4-6-7-8-9-10-11(3,13)12-5-2/h13H,4-10H2,1-3H3/p-1.
What are the key properties of 2-ethoxynonane-2-thiolate?
2-ethoxynonane-2-thiolate has a molecular weight of 203.37 g/mol, XLogP of 3.65, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxynonane-2-thiolate is sourced from PubChem (CID 134893047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).