2-ethoxyethyl undecoxy sulfate

C15H32O6S — CID 142735566

IUPAC2-ethoxyethyl undecoxy sulfate
SMILESCCCCCCCCCCCOOS(=O)(=O)OCCOCC
InChIInChI=1S/C15H32O6S/c1-3-5-6-7-8-9-10-11-12-13-19-21-22(16,17)20-15-14-18-4-2/h3-15H2,1-2H3
InChIKeyKLSLDABALGCPIB-UHFFFAOYSA-N
MW340.48 g/mol
LogP3.76
Rot. Bonds17

About 2-ethoxyethyl undecoxy sulfate

2-ethoxyethyl undecoxy sulfate (PubChem CID 142735566) has the molecular formula C15H32O6S and a molecular weight of 340.48 g/mol. Its IUPAC name is 2-ethoxyethyl undecoxy sulfate.

Molecular Properties

Compound Name2-ethoxyethyl undecoxy sulfate
PubChem CID142735566
Molecular FormulaC15H32O6S
Molecular Weight340.48 g/mol
Exact Mass340.19
IUPAC Name2-ethoxyethyl undecoxy sulfate
SMILESCCCCCCCCCCCOOS(=O)(=O)OCCOCC
InChIInChI=1S/C15H32O6S/c1-3-5-6-7-8-9-10-11-12-13-19-21-22(16,17)20-15-14-18-4-2/h3-15H2,1-2H3
InChIKeyKLSLDABALGCPIB-UHFFFAOYSA-N
XLogP3.76
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl undecoxy sulfate?
The IUPAC name of 2-ethoxyethyl undecoxy sulfate (CID 142735566) is 2-ethoxyethyl undecoxy sulfate.
What is the SMILES notation for 2-ethoxyethyl undecoxy sulfate?
The canonical SMILES for 2-ethoxyethyl undecoxy sulfate is CCCCCCCCCCCOOS(=O)(=O)OCCOCC.
What is the InChIKey of 2-ethoxyethyl undecoxy sulfate?
The InChIKey is KLSLDABALGCPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O6S/c1-3-5-6-7-8-9-10-11-12-13-19-21-22(16,17)20-15-14-18-4-2/h3-15H2,1-2H3.
What are the key properties of 2-ethoxyethyl undecoxy sulfate?
2-ethoxyethyl undecoxy sulfate has a molecular weight of 340.48 g/mol, XLogP of 3.76, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl undecoxy sulfate is sourced from PubChem (CID 142735566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).