1-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butoxy]-4-propoxybutane

C19H40O5 — CID 134553508

IUPAC1-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butoxy]-4-propoxybutane
SMILESCCCOCCCCOCCCCOCCOCCOC(C)(C)C
InChIInChI=1S/C19H40O5/c1-5-10-20-11-6-7-12-21-13-8-9-14-22-15-16-23-17-18-24-19(2,3)4/h5-18H2,1-4H3
InChIKeyWFOAHMIYMRBUDH-UHFFFAOYSA-N
MW348.52 g/mol
LogP3.84
Rot. Bonds18

About 1-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butoxy]-4-propoxybutane

1-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butoxy]-4-propoxybutane (PubChem CID 134553508) has the molecular formula C19H40O5 and a molecular weight of 348.52 g/mol. Its IUPAC name is 1-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butoxy]-4-propoxybutane.

Molecular Properties

Compound Name1-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butoxy]-4-propoxybutane
PubChem CID134553508
Molecular FormulaC19H40O5
Molecular Weight348.52 g/mol
Exact Mass348.29
IUPAC Name1-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butoxy]-4-propoxybutane
SMILESCCCOCCCCOCCCCOCCOCCOC(C)(C)C
InChIInChI=1S/C19H40O5/c1-5-10-20-11-6-7-12-21-13-8-9-14-22-15-16-23-17-18-24-19(2,3)4/h5-18H2,1-4H3
InChIKeyWFOAHMIYMRBUDH-UHFFFAOYSA-N
XLogP3.84
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butoxy]-4-propoxybutane 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

2-methyl-2-[2-(2-propoxyethoxy)ethoxy]propane
CID 87735391
1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexane
CID 164583744
2-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134597159
N-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-1-amine
CID 112589971
methane;tris(2-methyl-2-propoxypropane)
CID 160767059
2-methyl-2-(2-propoxyethoxy)butane
CID 174670155
2,2-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]propane
CID 134553500
1-ethoxy-5-[(2-methylpropan-2-yl)oxy]pentane
CID 88911131
2-[2-[2-[2-[2-[13-[(2-methylpropan-2-yl)oxy]tridecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595009
N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-amine
CID 112587414
2-[2-[2-[2-[2-[2-[2-[13-[(2-methylpropan-2-yl)oxy]tridecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139596591
2-[2-[2-[2-[2-[2-[2-[2-[14-[(2-methylpropan-2-yl)oxy]tetradecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139596860

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butoxy]-4-propoxybutane?
The IUPAC name of 1-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butoxy]-4-propoxybutane (CID 134553508) is 1-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butoxy]-4-propoxybutane.
What is the SMILES notation for 1-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butoxy]-4-propoxybutane?
The canonical SMILES for 1-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butoxy]-4-propoxybutane is CCCOCCCCOCCCCOCCOCCOC(C)(C)C.
What is the InChIKey of 1-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butoxy]-4-propoxybutane?
The InChIKey is WFOAHMIYMRBUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O5/c1-5-10-20-11-6-7-12-21-13-8-9-14-22-15-16-23-17-18-24-19(2,3)4/h5-18H2,1-4H3.
What are the key properties of 1-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butoxy]-4-propoxybutane?
1-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butoxy]-4-propoxybutane has a molecular weight of 348.52 g/mol, XLogP of 3.84, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butoxy]-4-propoxybutane is sourced from PubChem (CID 134553508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).