sodium octadecan-1-olate

C18H37NaO — CID 23689332

IUPACsodium octadecan-1-olate
SMILESCCCCCCCCCCCCCCCCCC[O-].[Na+]
InChIInChI=1S/C18H37O.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h2-18H2,1H3;/q-1;+1
InChIKeySBEDULGUSDGGHS-UHFFFAOYSA-N
MW292.48 g/mol
LogP2.61
Rot. Bonds16

About sodium octadecan-1-olate

sodium octadecan-1-olate (PubChem CID 23689332) has the molecular formula C18H37NaO and a molecular weight of 292.48 g/mol. Its IUPAC name is sodium octadecan-1-olate.

Molecular Properties

Compound Namesodium octadecan-1-olate
PubChem CID23689332
Molecular FormulaC18H37NaO
Molecular Weight292.48 g/mol
Exact Mass292.27
IUPAC Namesodium octadecan-1-olate
SMILESCCCCCCCCCCCCCCCCCC[O-].[Na+]
InChIInChI=1S/C18H37O.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h2-18H2,1H3;/q-1;+1
InChIKeySBEDULGUSDGGHS-UHFFFAOYSA-N
XLogP2.61
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.48
LogP ≤ 52.61
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

magnesium decan-1-olate
CID 3015949
barium(2+);bis(octadecan-1-olate)
CID 23324389
calcium bis(decan-1-olate)
CID 141290490
calcium bis(octan-1-olate)
CID 87749670
magnesium;butan-1-olate;octan-1-olate
CID 24942472
magnesium;ethane;hexan-1-olate
CID 140967306
decan-1-olate;bis(trimethylazanium);chloride
CID 141321168
sodium;sulfuric acid;tridecan-1-olate
CID 175074836
aluminum;hexan-1-olate;bis(propan-2-olate)
CID 102269267
magnesium;butane;pentan-1-olate
CID 141190772
lithium (Z)-octadec-9-en-1-olate
CID 135077819
tetrakis((Z)-octadec-9-en-1-olate);bis(titanium(2+))
CID 20838913

Frequently Asked Questions

What is the IUPAC name of sodium octadecan-1-olate?
The IUPAC name of sodium octadecan-1-olate (CID 23689332) is sodium octadecan-1-olate.
What is the SMILES notation for sodium octadecan-1-olate?
The canonical SMILES for sodium octadecan-1-olate is CCCCCCCCCCCCCCCCCC[O-].[Na+].
What is the InChIKey of sodium octadecan-1-olate?
The InChIKey is SBEDULGUSDGGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37O.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h2-18H2,1H3;/q-1;+1.
What are the key properties of sodium octadecan-1-olate?
sodium octadecan-1-olate has a molecular weight of 292.48 g/mol, XLogP of 2.61, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium octadecan-1-olate is sourced from PubChem (CID 23689332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).