1,3-dimethoxy-2-methylpropane;3-methoxy-2-methylpropan-1-ol

C11H26O4 — CID 157414663

IUPAC1,3-dimethoxy-2-methylpropane;3-methoxy-2-methylpropan-1-ol
SMILESCOCC(C)CO.COCC(C)COC
InChIInChI=1S/C6H14O2.C5H12O2/c1-6(4-7-2)5-8-3;1-5(3-6)4-7-2/h6H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3
InChIKeyBORWABNGDSAOCO-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.18
Rot. Bonds7

About 1,3-dimethoxy-2-methylpropane;3-methoxy-2-methylpropan-1-ol

1,3-dimethoxy-2-methylpropane;3-methoxy-2-methylpropan-1-ol (PubChem CID 157414663) has the molecular formula C11H26O4 and a molecular weight of 222.32 g/mol. Its IUPAC name is 1,3-dimethoxy-2-methylpropane;3-methoxy-2-methylpropan-1-ol.

Molecular Properties

Compound Name1,3-dimethoxy-2-methylpropane;3-methoxy-2-methylpropan-1-ol
PubChem CID157414663
Molecular FormulaC11H26O4
Molecular Weight222.32 g/mol
Exact Mass222.18
IUPAC Name1,3-dimethoxy-2-methylpropane;3-methoxy-2-methylpropan-1-ol
SMILESCOCC(C)CO.COCC(C)COC
InChIInChI=1S/C6H14O2.C5H12O2/c1-6(4-7-2)5-8-3;1-5(3-6)4-7-2/h6H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3
InChIKeyBORWABNGDSAOCO-UHFFFAOYSA-N
XLogP1.18
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,3-dimethoxy-2-methylpropane;3-methoxy-2-methylpropan-1-ol 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

(3S)-4-methoxy-3-methylbutan-1-ol
CID 87593216
(2S)-2-methyl-3-methylperoxypropan-1-ol
CID 88887750
hydroxy-(3-methoxy-2-methylpropoxy)-dimethylphosphanium
CID 123564196
3-(1-methoxypropan-2-ylsulfanyl)-2-methylpropan-1-ol
CID 66104725
1,2-dimethoxybutane;1,3-dimethoxy-2-methylpropane;methane;2-methoxybutan-1-ol;3-methoxy-2-methylpropan-1-ol;3-methoxypentan-2-one
CID 159413366
2-[3-[3-(2-hydroxyethoxy)-2-methylpropoxy]-2-methylpropoxy]ethanol
CID 18784446
3-[(3-methoxy-2-methylpropyl)amino]propane-1,2-diol
CID 76929562
N-(3-hydroxy-2-methylpropyl)-4-methoxy-3-methylbutanamide;yttrium
CID 58776208
3-[2-(2-ethoxyethoxy)ethoxy]-2-methylpropan-1-ol
CID 138569318
1-methoxy-2-methyl-3-[2-methyl-3-(2-methyl-3-propan-2-yloxypropoxy)propoxy]propane
CID 155228803
(2R)-1-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane
CID 90381386
bromomethane;methane;1-methoxy-2-methylpropane;2-methylpropan-1-ol
CID 159979197

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-2-methylpropane;3-methoxy-2-methylpropan-1-ol?
The IUPAC name of 1,3-dimethoxy-2-methylpropane;3-methoxy-2-methylpropan-1-ol (CID 157414663) is 1,3-dimethoxy-2-methylpropane;3-methoxy-2-methylpropan-1-ol.
What is the SMILES notation for 1,3-dimethoxy-2-methylpropane;3-methoxy-2-methylpropan-1-ol?
The canonical SMILES for 1,3-dimethoxy-2-methylpropane;3-methoxy-2-methylpropan-1-ol is COCC(C)CO.COCC(C)COC.
What is the InChIKey of 1,3-dimethoxy-2-methylpropane;3-methoxy-2-methylpropan-1-ol?
The InChIKey is BORWABNGDSAOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.C5H12O2/c1-6(4-7-2)5-8-3;1-5(3-6)4-7-2/h6H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3.
What are the key properties of 1,3-dimethoxy-2-methylpropane;3-methoxy-2-methylpropan-1-ol?
1,3-dimethoxy-2-methylpropane;3-methoxy-2-methylpropan-1-ol has a molecular weight of 222.32 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-2-methylpropane;3-methoxy-2-methylpropan-1-ol is sourced from PubChem (CID 157414663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).