3,3-dimethyl-1-[2-(2-methylpropoxy)ethoxy]butan-2-ol

C12H26O3 — CID 106448661

IUPAC3,3-dimethyl-1-[2-(2-methylpropoxy)ethoxy]butan-2-ol
SMILESCC(C)COCCOCC(O)C(C)(C)C
InChIInChI=1S/C12H26O3/c1-10(2)8-14-6-7-15-9-11(13)12(3,4)5/h10-11,13H,6-9H2,1-5H3
InChIKeyQORYYPBFDBAGME-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.08
Rot. Bonds7

About 3,3-dimethyl-1-[2-(2-methylpropoxy)ethoxy]butan-2-ol

3,3-dimethyl-1-[2-(2-methylpropoxy)ethoxy]butan-2-ol (PubChem CID 106448661) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3,3-dimethyl-1-[2-(2-methylpropoxy)ethoxy]butan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-[2-(2-methylpropoxy)ethoxy]butan-2-ol
PubChem CID106448661
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Name3,3-dimethyl-1-[2-(2-methylpropoxy)ethoxy]butan-2-ol
SMILESCC(C)COCCOCC(O)C(C)(C)C
InChIInChI=1S/C12H26O3/c1-10(2)8-14-6-7-15-9-11(13)12(3,4)5/h10-11,13H,6-9H2,1-5H3
InChIKeyQORYYPBFDBAGME-UHFFFAOYSA-N
XLogP2.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,3-dimethyl-1-[2-(2-methylpropoxy)ethoxy]butan-2-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

1-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutan-2-ol
CID 140523652
1-(2-hydroxy-3,3-dimethylbutyl)peroxy-3,3-dimethylbutan-2-ol
CID 57136034
3,3-dimethyl-1-propoxybutan-2-ol
CID 20658603
2,2-dimethoxypropane;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane
CID 162031327
2-(2-methylpropoxy)ethyl (2R)-2-amino-3,3-dimethylbutanoate
CID 106448215
3,3-dimethyl-1-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butane
CID 167646530
1-[2-(2-methylpropoxy)ethoxy]butan-2-ol
CID 106448685
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428225
3-amino-4,4-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pentan-1-ol
CID 106447308
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane
CID 90326526
1-aminooxy-3,3-dimethylbutan-2-ol
CID 21111532

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[2-(2-methylpropoxy)ethoxy]butan-2-ol?
The IUPAC name of 3,3-dimethyl-1-[2-(2-methylpropoxy)ethoxy]butan-2-ol (CID 106448661) is 3,3-dimethyl-1-[2-(2-methylpropoxy)ethoxy]butan-2-ol.
What is the SMILES notation for 3,3-dimethyl-1-[2-(2-methylpropoxy)ethoxy]butan-2-ol?
The canonical SMILES for 3,3-dimethyl-1-[2-(2-methylpropoxy)ethoxy]butan-2-ol is CC(C)COCCOCC(O)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-1-[2-(2-methylpropoxy)ethoxy]butan-2-ol?
The InChIKey is QORYYPBFDBAGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3/c1-10(2)8-14-6-7-15-9-11(13)12(3,4)5/h10-11,13H,6-9H2,1-5H3.
What are the key properties of 3,3-dimethyl-1-[2-(2-methylpropoxy)ethoxy]butan-2-ol?
3,3-dimethyl-1-[2-(2-methylpropoxy)ethoxy]butan-2-ol has a molecular weight of 218.34 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[2-(2-methylpropoxy)ethoxy]butan-2-ol is sourced from PubChem (CID 106448661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).