3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane

C20H42O6 — CID 118631027

IUPAC3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
SMILESCC(C)CCOCCOCCOCCOCCOCCOCCC(C)C
InChIInChI=1S/C20H42O6/c1-19(2)5-7-21-9-11-23-13-15-25-17-18-26-16-14-24-12-10-22-8-6-20(3)4/h19-20H,5-18H2,1-4H3
InChIKeyOBNJVMFWYAFYES-UHFFFAOYSA-N
MW378.55 g/mol
LogP3.18
Rot. Bonds21

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

3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane (PubChem CID 118631027) has the molecular formula C20H42O6 and a molecular weight of 378.55 g/mol. Its IUPAC name is 3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane.

Molecular Properties

Compound Name3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
PubChem CID118631027
Molecular FormulaC20H42O6
Molecular Weight378.55 g/mol
Exact Mass378.30
IUPAC Name3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
SMILESCC(C)CCOCCOCCOCCOCCOCCOCCC(C)C
InChIInChI=1S/C20H42O6/c1-19(2)5-7-21-9-11-23-13-15-25-17-18-26-16-14-24-12-10-22-8-6-20(3)4/h19-20H,5-18H2,1-4H3
InChIKeyOBNJVMFWYAFYES-UHFFFAOYSA-N
XLogP3.18
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.55
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]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

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
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
1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane
CID 88620736
1-(2-butan-2-yloxyethoxy)-3-methylbutane
CID 165127882
1-(2-ethoxyethoxy)-3-methylbutane;1-(3-ethoxypropoxy)-3-methylbutane
CID 161271742
3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]butane
CID 171600515
trimethyl-[2-(3-methylbutoxy)ethoxy]silane
CID 526910
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
1-[2-(3-methylbutoxy)ethoxy]tetradecane
CID 59344673

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane?
The IUPAC name of 3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane (CID 118631027) is 3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane.
What is the SMILES notation for 3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane?
The canonical SMILES for 3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane is CC(C)CCOCCOCCOCCOCCOCCOCCC(C)C.
What is the InChIKey of 3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane?
The InChIKey is OBNJVMFWYAFYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O6/c1-19(2)5-7-21-9-11-23-13-15-25-17-18-26-16-14-24-12-10-22-8-6-20(3)4/h19-20H,5-18H2,1-4H3.
What are the key properties of 3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane?
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane has a molecular weight of 378.55 g/mol, XLogP of 3.18, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane is sourced from PubChem (CID 118631027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).