sodium 2-nonylphenolate

C15H23NaO — CID 23688997

IUPACsodium 2-nonylphenolate
SMILESCCCCCCCCCc1ccccc1[O-].[Na+]
InChIInChI=1S/C15H24O.Na/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;/h9-10,12-13,16H,2-8,11H2,1H3;/q;+1/p-1
InChIKeyLGORLCOUTMVEAC-UHFFFAOYSA-M
MW242.34 g/mol
LogP1.06
Rot. Bonds8

About sodium 2-nonylphenolate

sodium 2-nonylphenolate (PubChem CID 23688997) has the molecular formula C15H23NaO and a molecular weight of 242.34 g/mol. Its IUPAC name is sodium 2-nonylphenolate.

Molecular Properties

Compound Namesodium 2-nonylphenolate
PubChem CID23688997
Molecular FormulaC15H23NaO
Molecular Weight242.34 g/mol
Exact Mass242.16
IUPAC Namesodium 2-nonylphenolate
SMILESCCCCCCCCCc1ccccc1[O-].[Na+]
InChIInChI=1S/C15H24O.Na/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;/h9-10,12-13,16H,2-8,11H2,1H3;/q;+1/p-1
InChIKeyLGORLCOUTMVEAC-UHFFFAOYSA-M
XLogP1.06
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 2-nonylphenolate?
The IUPAC name of sodium 2-nonylphenolate (CID 23688997) is sodium 2-nonylphenolate.
What is the SMILES notation for sodium 2-nonylphenolate?
The canonical SMILES for sodium 2-nonylphenolate is CCCCCCCCCc1ccccc1[O-].[Na+].
What is the InChIKey of sodium 2-nonylphenolate?
The InChIKey is LGORLCOUTMVEAC-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H24O.Na/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;/h9-10,12-13,16H,2-8,11H2,1H3;/q;+1/p-1.
What are the key properties of sodium 2-nonylphenolate?
sodium 2-nonylphenolate has a molecular weight of 242.34 g/mol, XLogP of 1.06, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-nonylphenolate is sourced from PubChem (CID 23688997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).