sodium nonan-1-olate

C9H19NaO — CID 102093752

IUPACsodium nonan-1-olate
SMILESCCCCCCCCC[O-].[Na+]
InChIInChI=1S/C9H19O.Na/c1-2-3-4-5-6-7-8-9-10;/h2-9H2,1H3;/q-1;+1
InChIKeyIWWONCDYYPQTQT-UHFFFAOYSA-N
MW166.24 g/mol
LogP-0.90
Rot. Bonds7

About sodium nonan-1-olate

sodium nonan-1-olate (PubChem CID 102093752) has the molecular formula C9H19NaO and a molecular weight of 166.24 g/mol. Its IUPAC name is sodium nonan-1-olate.

Molecular Properties

Compound Namesodium nonan-1-olate
PubChem CID102093752
Molecular FormulaC9H19NaO
Molecular Weight166.24 g/mol
Exact Mass166.13
IUPAC Namesodium nonan-1-olate
SMILESCCCCCCCCC[O-].[Na+]
InChIInChI=1S/C9H19O.Na/c1-2-3-4-5-6-7-8-9-10;/h2-9H2,1H3;/q-1;+1
InChIKeyIWWONCDYYPQTQT-UHFFFAOYSA-N
XLogP-0.90
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
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

Decane, 1-methoxy-
CID 23716
Heptane, 1,1'-oxybis-
CID 12392
Cyclododecane, methoxy-
CID 76334
1-Methoxyoctane
CID 70247
Dodecane, 1-methoxy-
CID 77032
Heptane, 1-ethoxy-
CID 519677
1-Ethoxyoctane
CID 94664
1-Ethoxydodecane
CID 96386
Decyl ethyl ether
CID 109644
1-Methoxynonane
CID 522469
1-Methoxyundecane
CID 542197
O-Decylhydroxylamine
CID 34704

Frequently Asked Questions

What is the IUPAC name of sodium nonan-1-olate?
The IUPAC name of sodium nonan-1-olate (CID 102093752) is sodium nonan-1-olate.
What is the SMILES notation for sodium nonan-1-olate?
The canonical SMILES for sodium nonan-1-olate is CCCCCCCCC[O-].[Na+].
What is the InChIKey of sodium nonan-1-olate?
The InChIKey is IWWONCDYYPQTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O.Na/c1-2-3-4-5-6-7-8-9-10;/h2-9H2,1H3;/q-1;+1.
What are the key properties of sodium nonan-1-olate?
sodium nonan-1-olate has a molecular weight of 166.24 g/mol, XLogP of -0.90, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium nonan-1-olate is sourced from PubChem (CID 102093752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).