sodium nonan-2-olate

C9H19NaO — CID 23695654

IUPACsodium nonan-2-olate
SMILESCCCCCCCC(C)[O-].[Na+]
InChIInChI=1S/C9H19O.Na/c1-3-4-5-6-7-8-9(2)10;/h9H,3-8H2,1-2H3;/q-1;+1
InChIKeyRIAHVHKMTMPRJT-UHFFFAOYSA-N
MW166.24 g/mol
LogP-0.90
Rot. Bonds6

About sodium nonan-2-olate

sodium nonan-2-olate (PubChem CID 23695654) has the molecular formula C9H19NaO and a molecular weight of 166.24 g/mol. Its IUPAC name is sodium nonan-2-olate.

Molecular Properties

Compound Namesodium nonan-2-olate
PubChem CID23695654
Molecular FormulaC9H19NaO
Molecular Weight166.24 g/mol
Exact Mass166.13
IUPAC Namesodium nonan-2-olate
SMILESCCCCCCCC(C)[O-].[Na+]
InChIInChI=1S/C9H19O.Na/c1-3-4-5-6-7-8-9(2)10;/h9H,3-8H2,1-2H3;/q-1;+1
InChIKeyRIAHVHKMTMPRJT-UHFFFAOYSA-N
XLogP-0.90
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 5-0.90
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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Related Compounds

potassium heptan-2-olate
CID 165147938
lithium hexan-2-olate
CID 141423009
8-methyloctadecane
CID 530154
11-methylpentacosane
CID 526107
7,13-dimethylnonatriacontane
CID 91752073
7,13-dimethylhexacosane
CID 91751102
15-methylhentetracontane
CID 56936162
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
2-methylpentaoctacontane
CID 90745672
6-methylheptacosane
CID 22223776
16,17-dimethyltritriacontane
CID 91506561

Frequently Asked Questions

What is the IUPAC name of sodium nonan-2-olate?
The IUPAC name of sodium nonan-2-olate (CID 23695654) is sodium nonan-2-olate.
What is the SMILES notation for sodium nonan-2-olate?
The canonical SMILES for sodium nonan-2-olate is CCCCCCCC(C)[O-].[Na+].
What is the InChIKey of sodium nonan-2-olate?
The InChIKey is RIAHVHKMTMPRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O.Na/c1-3-4-5-6-7-8-9(2)10;/h9H,3-8H2,1-2H3;/q-1;+1.
What are the key properties of sodium nonan-2-olate?
sodium nonan-2-olate has a molecular weight of 166.24 g/mol, XLogP of -0.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium nonan-2-olate is sourced from PubChem (CID 23695654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).