sodium;methanol;oxolane;hydroxide

C5H13NaO3 — CID 68905432

IUPACsodium;methanol;oxolane;hydroxide
SMILESC1CCOC1.CO.[Na+].[OH-]
InChIInChI=1S/C4H8O.CH4O.Na.H2O/c1-2-4-5-3-1;1-2;;/h1-4H2;2H,1H3;;1H2/q;;+1;/p-1
InChIKeyDDQVYJCDEQGENG-UHFFFAOYSA-M
MW144.15 g/mol
LogP-2.77
Rot. Bonds

About sodium;methanol;oxolane;hydroxide

sodium;methanol;oxolane;hydroxide (PubChem CID 68905432) has the molecular formula C5H13NaO3 and a molecular weight of 144.15 g/mol. Its IUPAC name is sodium;methanol;oxolane;hydroxide.

Molecular Properties

Compound Namesodium;methanol;oxolane;hydroxide
PubChem CID68905432
Molecular FormulaC5H13NaO3
Molecular Weight144.15 g/mol
Exact Mass144.08
IUPAC Namesodium;methanol;oxolane;hydroxide
SMILESC1CCOC1.CO.[Na+].[OH-]
InChIInChI=1S/C4H8O.CH4O.Na.H2O/c1-2-4-5-3-1;1-2;;/h1-4H2;2H,1H3;;1H2/q;;+1;/p-1
InChIKeyDDQVYJCDEQGENG-UHFFFAOYSA-M
XLogP-2.77
TPSA59.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 5-2.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,6,11,16,21,26,31-heptaoxacyclopentatriacontane
CID 15446455
1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane
CID 15446458
oxolane;propan-2-one
CID 22559816
oxolane;propan-2-ol
CID 22597222
manganese;oxolane
CID 70504486
1,5,10,14-tetraoxacyclooctadecane
CID 57048709
oxane;oxepane;oxocane;oxolane
CID 159745968
cycloheptane;oxolane
CID 23033083
oxacycloheptadecane
CID 22011753
oxolane;titanium
CID 160710512
cyclohexane;oxane
CID 20574508
cyclobutane;oxolane
CID 158733546

Frequently Asked Questions

What is the IUPAC name of sodium;methanol;oxolane;hydroxide?
The IUPAC name of sodium;methanol;oxolane;hydroxide (CID 68905432) is sodium;methanol;oxolane;hydroxide.
What is the SMILES notation for sodium;methanol;oxolane;hydroxide?
The canonical SMILES for sodium;methanol;oxolane;hydroxide is C1CCOC1.CO.[Na+].[OH-].
What is the InChIKey of sodium;methanol;oxolane;hydroxide?
The InChIKey is DDQVYJCDEQGENG-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O.CH4O.Na.H2O/c1-2-4-5-3-1;1-2;;/h1-4H2;2H,1H3;;1H2/q;;+1;/p-1.
What are the key properties of sodium;methanol;oxolane;hydroxide?
sodium;methanol;oxolane;hydroxide has a molecular weight of 144.15 g/mol, XLogP of -2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;methanol;oxolane;hydroxide is sourced from PubChem (CID 68905432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).