1-ethoxy-3-methyl-1-(2-methylpropoxy)butane

C11H24O2 — CID 3020407

IUPAC1-ethoxy-3-methyl-1-(2-methylpropoxy)butane
SMILESCCOC(CC(C)C)OCC(C)C
InChIInChI=1S/C11H24O2/c1-6-12-11(7-9(2)3)13-8-10(4)5/h9-11H,6-8H2,1-5H3
InChIKeyCDUMXRCATAAWBT-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.07
Rot. Bonds7

About 1-ethoxy-3-methyl-1-(2-methylpropoxy)butane

1-ethoxy-3-methyl-1-(2-methylpropoxy)butane (PubChem CID 3020407) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-ethoxy-3-methyl-1-(2-methylpropoxy)butane.

Molecular Properties

Compound Name1-ethoxy-3-methyl-1-(2-methylpropoxy)butane
PubChem CID3020407
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name1-ethoxy-3-methyl-1-(2-methylpropoxy)butane
SMILESCCOC(CC(C)C)OCC(C)C
InChIInChI=1S/C11H24O2/c1-6-12-11(7-9(2)3)13-8-10(4)5/h9-11H,6-8H2,1-5H3
InChIKeyCDUMXRCATAAWBT-UHFFFAOYSA-N
XLogP3.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-methyl-1-(2-methylpropoxy)butane?
The IUPAC name of 1-ethoxy-3-methyl-1-(2-methylpropoxy)butane (CID 3020407) is 1-ethoxy-3-methyl-1-(2-methylpropoxy)butane.
What is the SMILES notation for 1-ethoxy-3-methyl-1-(2-methylpropoxy)butane?
The canonical SMILES for 1-ethoxy-3-methyl-1-(2-methylpropoxy)butane is CCOC(CC(C)C)OCC(C)C.
What is the InChIKey of 1-ethoxy-3-methyl-1-(2-methylpropoxy)butane?
The InChIKey is CDUMXRCATAAWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-6-12-11(7-9(2)3)13-8-10(4)5/h9-11H,6-8H2,1-5H3.
What are the key properties of 1-ethoxy-3-methyl-1-(2-methylpropoxy)butane?
1-ethoxy-3-methyl-1-(2-methylpropoxy)butane has a molecular weight of 188.31 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-methyl-1-(2-methylpropoxy)butane is sourced from PubChem (CID 3020407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).