sodium;dodecan-1-ol;hydride

C12H27NaO — CID 173039865

IUPACsodium;dodecan-1-ol;hydride
SMILESCCCCCCCCCCCCO.[H-].[Na+]
InChIInChI=1S/C12H26O.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13;;/h13H,2-12H2,1H3;;/q;+1;-1
InChIKeyYLJCUOGZQJCWEF-UHFFFAOYSA-N
MW210.34 g/mol
LogP1.02
Rot. Bonds10

About sodium;dodecan-1-ol;hydride

sodium;dodecan-1-ol;hydride (PubChem CID 173039865) has the molecular formula C12H27NaO and a molecular weight of 210.34 g/mol. Its IUPAC name is sodium;dodecan-1-ol;hydride.

Molecular Properties

Compound Namesodium;dodecan-1-ol;hydride
PubChem CID173039865
Molecular FormulaC12H27NaO
Molecular Weight210.34 g/mol
Exact Mass210.20
IUPAC Namesodium;dodecan-1-ol;hydride
SMILESCCCCCCCCCCCCO.[H-].[Na+]
InChIInChI=1S/C12H26O.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13;;/h13H,2-12H2,1H3;;/q;+1;-1
InChIKeyYLJCUOGZQJCWEF-UHFFFAOYSA-N
XLogP1.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 51.02
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

magnesium;hexan-1-ol;hydride
CID 173424327
calcium;dodecan-1-ol;hydride
CID 173099575
calcium;hydride;undecan-1-ol
CID 174734394
magnesium;heptan-1-ol;hydride
CID 174154950
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
undecan-1-ol
CID 122455065

Frequently Asked Questions

What is the IUPAC name of sodium;dodecan-1-ol;hydride?
The IUPAC name of sodium;dodecan-1-ol;hydride (CID 173039865) is sodium;dodecan-1-ol;hydride.
What is the SMILES notation for sodium;dodecan-1-ol;hydride?
The canonical SMILES for sodium;dodecan-1-ol;hydride is CCCCCCCCCCCCO.[H-].[Na+].
What is the InChIKey of sodium;dodecan-1-ol;hydride?
The InChIKey is YLJCUOGZQJCWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13;;/h13H,2-12H2,1H3;;/q;+1;-1.
What are the key properties of sodium;dodecan-1-ol;hydride?
sodium;dodecan-1-ol;hydride has a molecular weight of 210.34 g/mol, XLogP of 1.02, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dodecan-1-ol;hydride is sourced from PubChem (CID 173039865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).