3-methyl-1-[2-(propan-2-yloxymethoxymethoxy)ethoxy]butane

C12H26O4 — CID 167420760

IUPAC3-methyl-1-[2-(propan-2-yloxymethoxymethoxy)ethoxy]butane
SMILESCC(C)CCOCCOCOCOC(C)C
InChIInChI=1S/C12H26O4/c1-11(2)5-6-13-7-8-14-9-15-10-16-12(3)4/h11-12H,5-10H2,1-4H3
InChIKeyYZXPYDMFTMYMAY-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.42
Rot. Bonds11

About 3-methyl-1-[2-(propan-2-yloxymethoxymethoxy)ethoxy]butane

3-methyl-1-[2-(propan-2-yloxymethoxymethoxy)ethoxy]butane (PubChem CID 167420760) has the molecular formula C12H26O4 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-methyl-1-[2-(propan-2-yloxymethoxymethoxy)ethoxy]butane.

Molecular Properties

Compound Name3-methyl-1-[2-(propan-2-yloxymethoxymethoxy)ethoxy]butane
PubChem CID167420760
Molecular FormulaC12H26O4
Molecular Weight234.34 g/mol
Exact Mass234.18
IUPAC Name3-methyl-1-[2-(propan-2-yloxymethoxymethoxy)ethoxy]butane
SMILESCC(C)CCOCCOCOCOC(C)C
InChIInChI=1S/C12H26O4/c1-11(2)5-6-13-7-8-14-9-15-10-16-12(3)4/h11-12H,5-10H2,1-4H3
InChIKeyYZXPYDMFTMYMAY-UHFFFAOYSA-N
XLogP2.42
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-methyl-1-[2-(propan-2-yloxymethoxymethoxy)ethoxy]butane 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

3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
3-methyl-1-(3-methylbutoxy)butane;molecular iodine
CID 131712143
3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane
CID 90326526
1-(2-butan-2-yloxyethoxy)-3-methylbutane
CID 165127882
2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428229
2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium
CID 142623254
2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 87184275
1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane
CID 88620736
2-[3-(propan-2-yloxymethoxy)propoxy]ethanol
CID 57303789
trimethyl-[2-(3-methylbutoxy)ethoxy]silane
CID 526910
3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]butane
CID 171600515

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(propan-2-yloxymethoxymethoxy)ethoxy]butane?
The IUPAC name of 3-methyl-1-[2-(propan-2-yloxymethoxymethoxy)ethoxy]butane (CID 167420760) is 3-methyl-1-[2-(propan-2-yloxymethoxymethoxy)ethoxy]butane.
What is the SMILES notation for 3-methyl-1-[2-(propan-2-yloxymethoxymethoxy)ethoxy]butane?
The canonical SMILES for 3-methyl-1-[2-(propan-2-yloxymethoxymethoxy)ethoxy]butane is CC(C)CCOCCOCOCOC(C)C.
What is the InChIKey of 3-methyl-1-[2-(propan-2-yloxymethoxymethoxy)ethoxy]butane?
The InChIKey is YZXPYDMFTMYMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4/c1-11(2)5-6-13-7-8-14-9-15-10-16-12(3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 3-methyl-1-[2-(propan-2-yloxymethoxymethoxy)ethoxy]butane?
3-methyl-1-[2-(propan-2-yloxymethoxymethoxy)ethoxy]butane has a molecular weight of 234.34 g/mol, XLogP of 2.42, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(propan-2-yloxymethoxymethoxy)ethoxy]butane is sourced from PubChem (CID 167420760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).