sodium;dodecan-1-olate;toluene

C19H33NaO — CID 174701428

IUPACsodium;dodecan-1-olate;toluene
SMILESCCCCCCCCCCCC[O-].Cc1ccccc1.[Na+]
InChIInChI=1S/C12H25O.C7H8.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-7-5-3-2-4-6-7;/h2-12H2,1H3;2-6H,1H3;/q-1;;+1
InChIKeyMLVFKDUGZAOGRA-UHFFFAOYSA-N
MW300.46 g/mol
LogP2.27
Rot. Bonds10

About sodium;dodecan-1-olate;toluene

sodium;dodecan-1-olate;toluene (PubChem CID 174701428) has the molecular formula C19H33NaO and a molecular weight of 300.46 g/mol. Its IUPAC name is sodium;dodecan-1-olate;toluene.

Molecular Properties

Compound Namesodium;dodecan-1-olate;toluene
PubChem CID174701428
Molecular FormulaC19H33NaO
Molecular Weight300.46 g/mol
Exact Mass300.24
IUPAC Namesodium;dodecan-1-olate;toluene
SMILESCCCCCCCCCCCC[O-].Cc1ccccc1.[Na+]
InChIInChI=1S/C12H25O.C7H8.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-7-5-3-2-4-6-7;/h2-12H2,1H3;2-6H,1H3;/q-1;;+1
InChIKeyMLVFKDUGZAOGRA-UHFFFAOYSA-N
XLogP2.27
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.46
LogP ≤ 52.27
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

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Frequently Asked Questions

What is the IUPAC name of sodium;dodecan-1-olate;toluene?
The IUPAC name of sodium;dodecan-1-olate;toluene (CID 174701428) is sodium;dodecan-1-olate;toluene.
What is the SMILES notation for sodium;dodecan-1-olate;toluene?
The canonical SMILES for sodium;dodecan-1-olate;toluene is CCCCCCCCCCCC[O-].Cc1ccccc1.[Na+].
What is the InChIKey of sodium;dodecan-1-olate;toluene?
The InChIKey is MLVFKDUGZAOGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25O.C7H8.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-7-5-3-2-4-6-7;/h2-12H2,1H3;2-6H,1H3;/q-1;;+1.
What are the key properties of sodium;dodecan-1-olate;toluene?
sodium;dodecan-1-olate;toluene has a molecular weight of 300.46 g/mol, XLogP of 2.27, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dodecan-1-olate;toluene is sourced from PubChem (CID 174701428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).