sodium;dodecan-2-ol;hydride

C12H27NaO — CID 174187549

IUPACsodium;dodecan-2-ol;hydride
SMILESCCCCCCCCCCC(C)O.[H-].[Na+]
InChIInChI=1S/C12H26O.Na.H/c1-3-4-5-6-7-8-9-10-11-12(2)13;;/h12-13H,3-11H2,1-2H3;;/q;+1;-1
InChIKeyNQNXLQLJSQUOPJ-UHFFFAOYSA-N
MW210.34 g/mol
LogP1.01
Rot. Bonds9

About sodium;dodecan-2-ol;hydride

sodium;dodecan-2-ol;hydride (PubChem CID 174187549) has the molecular formula C12H27NaO and a molecular weight of 210.34 g/mol. Its IUPAC name is sodium;dodecan-2-ol;hydride.

Molecular Properties

Compound Namesodium;dodecan-2-ol;hydride
PubChem CID174187549
Molecular FormulaC12H27NaO
Molecular Weight210.34 g/mol
Exact Mass210.20
IUPAC Namesodium;dodecan-2-ol;hydride
SMILESCCCCCCCCCCC(C)O.[H-].[Na+]
InChIInChI=1S/C12H26O.Na.H/c1-3-4-5-6-7-8-9-10-11-12(2)13;;/h12-13H,3-11H2,1-2H3;;/q;+1;-1
InChIKeyNQNXLQLJSQUOPJ-UHFFFAOYSA-N
XLogP1.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;nonan-2-ol
CID 174316439
(2S)-octadecan-2-ol
CID 25022019
docosan-2-ol
CID 14151025
octan-2-ol
CID 20083
heptane;heptan-2-ol
CID 157400640
henicosan-2-ol
CID 14151023
octan-2-ol;vanadium
CID 175998662
azane;tetradecan-2-ol
CID 172733454
(2R)-heptan-2-ol
CID 6992611
heptan-2-ol;hydroxylamine
CID 88625997
(2S)-heptan-2-ol;hydrochloride
CID 141119609
methanamine;octadecan-2-ol;hydrochloride
CID 173318083

Frequently Asked Questions

What is the IUPAC name of sodium;dodecan-2-ol;hydride?
The IUPAC name of sodium;dodecan-2-ol;hydride (CID 174187549) is sodium;dodecan-2-ol;hydride.
What is the SMILES notation for sodium;dodecan-2-ol;hydride?
The canonical SMILES for sodium;dodecan-2-ol;hydride is CCCCCCCCCCC(C)O.[H-].[Na+].
What is the InChIKey of sodium;dodecan-2-ol;hydride?
The InChIKey is NQNXLQLJSQUOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O.Na.H/c1-3-4-5-6-7-8-9-10-11-12(2)13;;/h12-13H,3-11H2,1-2H3;;/q;+1;-1.
What are the key properties of sodium;dodecan-2-ol;hydride?
sodium;dodecan-2-ol;hydride has a molecular weight of 210.34 g/mol, XLogP of 1.01, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dodecan-2-ol;hydride is sourced from PubChem (CID 174187549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).