1-(2-ethoxyethoxy)-3-methylbutane;1-(3-ethoxypropoxy)-3-methylbutane

C19H42O4 — CID 161271742

IUPAC1-(2-ethoxyethoxy)-3-methylbutane;1-(3-ethoxypropoxy)-3-methylbutane
SMILESCCOCCCOCCC(C)C.CCOCCOCCC(C)C
InChIInChI=1S/C10H22O2.C9H20O2/c1-4-11-7-5-8-12-9-6-10(2)3;1-4-10-7-8-11-6-5-9(2)3/h10H,4-9H2,1-3H3;9H,4-8H2,1-3H3
InChIKeyVDXIVCXQVSCFIL-UHFFFAOYSA-N
MW334.54 g/mol
LogP4.56
Rot. Bonds15

About 1-(2-ethoxyethoxy)-3-methylbutane;1-(3-ethoxypropoxy)-3-methylbutane

1-(2-ethoxyethoxy)-3-methylbutane;1-(3-ethoxypropoxy)-3-methylbutane (PubChem CID 161271742) has the molecular formula C19H42O4 and a molecular weight of 334.54 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)-3-methylbutane;1-(3-ethoxypropoxy)-3-methylbutane.

Molecular Properties

Compound Name1-(2-ethoxyethoxy)-3-methylbutane;1-(3-ethoxypropoxy)-3-methylbutane
PubChem CID161271742
Molecular FormulaC19H42O4
Molecular Weight334.54 g/mol
Exact Mass334.31
IUPAC Name1-(2-ethoxyethoxy)-3-methylbutane;1-(3-ethoxypropoxy)-3-methylbutane
SMILESCCOCCCOCCC(C)C.CCOCCOCCC(C)C
InChIInChI=1S/C10H22O2.C9H20O2/c1-4-11-7-5-8-12-9-6-10(2)3;1-4-10-7-8-11-6-5-9(2)3/h10H,4-9H2,1-3H3;9H,4-8H2,1-3H3
InChIKeyVDXIVCXQVSCFIL-UHFFFAOYSA-N
XLogP4.56
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.54
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-ethoxyethoxy)-3-methylbutane;1-(3-ethoxypropoxy)-3-methylbutane 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-butoxyethoxy)ethoxy]-3-methylbutane
CID 88620736
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
1-[2-(3-methylbutoxy)ethoxy]tetradecane
CID 59344673
1-ethoxy-17-methyloctadecane
CID 91042875
3-methyl-1-[3-(2-methylpropoxy)propoxy]butane
CID 171414218
1-(3-methoxypropoxy)-3-methylbutane
CID 18925853
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
4-bromo-1-(2-ethoxyethoxy)pentane
CID 54122384
3-methyl-1-(3-methylbutoxy)butane;molecular iodine
CID 131712143
3-methyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]butane
CID 139316697
3-[2-(3-methylbutoxy)ethoxy]propyl 2-methylpropanoate
CID 140899152

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxy)-3-methylbutane;1-(3-ethoxypropoxy)-3-methylbutane?
The IUPAC name of 1-(2-ethoxyethoxy)-3-methylbutane;1-(3-ethoxypropoxy)-3-methylbutane (CID 161271742) is 1-(2-ethoxyethoxy)-3-methylbutane;1-(3-ethoxypropoxy)-3-methylbutane.
What is the SMILES notation for 1-(2-ethoxyethoxy)-3-methylbutane;1-(3-ethoxypropoxy)-3-methylbutane?
The canonical SMILES for 1-(2-ethoxyethoxy)-3-methylbutane;1-(3-ethoxypropoxy)-3-methylbutane is CCOCCCOCCC(C)C.CCOCCOCCC(C)C.
What is the InChIKey of 1-(2-ethoxyethoxy)-3-methylbutane;1-(3-ethoxypropoxy)-3-methylbutane?
The InChIKey is VDXIVCXQVSCFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2.C9H20O2/c1-4-11-7-5-8-12-9-6-10(2)3;1-4-10-7-8-11-6-5-9(2)3/h10H,4-9H2,1-3H3;9H,4-8H2,1-3H3.
What are the key properties of 1-(2-ethoxyethoxy)-3-methylbutane;1-(3-ethoxypropoxy)-3-methylbutane?
1-(2-ethoxyethoxy)-3-methylbutane;1-(3-ethoxypropoxy)-3-methylbutane has a molecular weight of 334.54 g/mol, XLogP of 4.56, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxy)-3-methylbutane;1-(3-ethoxypropoxy)-3-methylbutane is sourced from PubChem (CID 161271742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).