sodium;butan-1-olate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane

C12H27NaO2 — CID 175810945

IUPACsodium;butan-1-olate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
SMILESCC(C)(C)OC(C)(C)C.CCCC[O-].[Na+]
InChIInChI=1S/C8H18O.C4H9O.Na/c1-7(2,3)9-8(4,5)6;1-2-3-4-5;/h1-6H3;2-4H2,1H3;/q;-1;+1
InChIKeyFEZKERDCKNQAIC-UHFFFAOYSA-N
MW226.34 g/mol
LogP-0.25
Rot. Bonds2

About sodium;butan-1-olate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane

sodium;butan-1-olate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane (PubChem CID 175810945) has the molecular formula C12H27NaO2 and a molecular weight of 226.34 g/mol. Its IUPAC name is sodium;butan-1-olate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane.

Molecular Properties

Compound Namesodium;butan-1-olate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
PubChem CID175810945
Molecular FormulaC12H27NaO2
Molecular Weight226.34 g/mol
Exact Mass226.19
IUPAC Namesodium;butan-1-olate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
SMILESCC(C)(C)OC(C)(C)C.CCCC[O-].[Na+]
InChIInChI=1S/C8H18O.C4H9O.Na/c1-7(2,3)9-8(4,5)6;1-2-3-4-5;/h1-6H3;2-4H2,1H3;/q;-1;+1
InChIKeyFEZKERDCKNQAIC-UHFFFAOYSA-N
XLogP-0.25
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze sodium;butan-1-olate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;undecane
CID 174934900
tris(butan-1-olate);tert-butyltin(3+)
CID 175739917
CID 22242269
CID 22242269
tris(butan-1-olate);niobium(3+)
CID 161059025
tetrakis(butan-1-olate);hafnium(4+)
CID 10140113
tetrakis(butan-1-olate);germanium(4+)
CID 91868535
tetrakis(butan-1-olate);vanadium(4+)
CID 14438320
trilithium;tris(butan-1-olate)
CID 155673085
tris(butan-1-olate);yttrium(3+)
CID 11536856
butan-1-olate;rubidium(1+)
CID 23701266
disodium;butan-1-olate;2,2,2-trifluoroethanolate
CID 156788904
bis(butan-1-olate);methanolate;titanium(4+)
CID 14574622

Frequently Asked Questions

What is the IUPAC name of sodium;butan-1-olate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane?
The IUPAC name of sodium;butan-1-olate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane (CID 175810945) is sodium;butan-1-olate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane.
What is the SMILES notation for sodium;butan-1-olate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane?
The canonical SMILES for sodium;butan-1-olate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane is CC(C)(C)OC(C)(C)C.CCCC[O-].[Na+].
What is the InChIKey of sodium;butan-1-olate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane?
The InChIKey is FEZKERDCKNQAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.C4H9O.Na/c1-7(2,3)9-8(4,5)6;1-2-3-4-5;/h1-6H3;2-4H2,1H3;/q;-1;+1.
What are the key properties of sodium;butan-1-olate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane?
sodium;butan-1-olate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane has a molecular weight of 226.34 g/mol, XLogP of -0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;butan-1-olate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane is sourced from PubChem (CID 175810945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).