1-[2-(2-methylpropoxy)ethoxy]butan-2-ol

C10H22O3 — CID 106448685

IUPAC1-[2-(2-methylpropoxy)ethoxy]butan-2-ol
SMILESCCC(O)COCCOCC(C)C
InChIInChI=1S/C10H22O3/c1-4-10(11)8-13-6-5-12-7-9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyYYGNUZSMIKURDZ-UHFFFAOYSA-N
MW190.28 g/mol
LogP1.45
Rot. Bonds8

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

1-[2-(2-methylpropoxy)ethoxy]butan-2-ol (PubChem CID 106448685) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is 1-[2-(2-methylpropoxy)ethoxy]butan-2-ol.

Molecular Properties

Compound Name1-[2-(2-methylpropoxy)ethoxy]butan-2-ol
PubChem CID106448685
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Name1-[2-(2-methylpropoxy)ethoxy]butan-2-ol
SMILESCCC(O)COCCOCC(C)C
InChIInChI=1S/C10H22O3/c1-4-10(11)8-13-6-5-12-7-9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyYYGNUZSMIKURDZ-UHFFFAOYSA-N
XLogP1.45
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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-hydroxybutoxy)ethoxy]ethoxy]ethoxy]butan-2-ol
CID 12645981
1-[2-(3-ethoxy-2-hydroxypropoxy)ethoxy]butan-2-ol
CID 89027633
1-(2-methoxyethoxy)butan-2-ol
CID 20514540
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol
CID 104564611
1-(2-fluoroethoxy)butan-2-ol
CID 58952834
(2R)-1-butoxybutan-2-ol
CID 27255938
(2S)-1-octoxybutan-2-ol
CID 88988399
1-icosoxybutan-2-ol
CID 58176389
3-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]propanoic acid
CID 163504647
2-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106446603
butane;1-(2-methoxyethoxy)-2-methylpropane;1-methoxy-2-methylpropane;1-methoxypropane;2-methylbutane
CID 157217369
1-(2-methoxyethoxy)heptane-2,5-diol
CID 106992811

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropoxy)ethoxy]butan-2-ol?
The IUPAC name of 1-[2-(2-methylpropoxy)ethoxy]butan-2-ol (CID 106448685) is 1-[2-(2-methylpropoxy)ethoxy]butan-2-ol.
What is the SMILES notation for 1-[2-(2-methylpropoxy)ethoxy]butan-2-ol?
The canonical SMILES for 1-[2-(2-methylpropoxy)ethoxy]butan-2-ol is CCC(O)COCCOCC(C)C.
What is the InChIKey of 1-[2-(2-methylpropoxy)ethoxy]butan-2-ol?
The InChIKey is YYGNUZSMIKURDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3/c1-4-10(11)8-13-6-5-12-7-9(2)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-[2-(2-methylpropoxy)ethoxy]butan-2-ol?
1-[2-(2-methylpropoxy)ethoxy]butan-2-ol has a molecular weight of 190.28 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropoxy)ethoxy]butan-2-ol is sourced from PubChem (CID 106448685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).