1-(1-ethoxy-2-methylpropoxy)-3-methylbutane

C11H24O2 — CID 53428112

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

About 1-(1-ethoxy-2-methylpropoxy)-3-methylbutane

1-(1-ethoxy-2-methylpropoxy)-3-methylbutane (PubChem CID 53428112) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-(1-ethoxy-2-methylpropoxy)-3-methylbutane.

Molecular Properties

Compound Name1-(1-ethoxy-2-methylpropoxy)-3-methylbutane
PubChem CID53428112
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name1-(1-ethoxy-2-methylpropoxy)-3-methylbutane
SMILESCCOC(OCCC(C)C)C(C)C
InChIInChI=1S/C11H24O2/c1-6-12-11(10(4)5)13-8-7-9(2)3/h9-11H,6-8H2,1-5H3
InChIKeyGHDJSUFLQIZAGW-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-(1-ethoxy-2-methylpropoxy)-3-methylbutane?
The IUPAC name of 1-(1-ethoxy-2-methylpropoxy)-3-methylbutane (CID 53428112) is 1-(1-ethoxy-2-methylpropoxy)-3-methylbutane.
What is the SMILES notation for 1-(1-ethoxy-2-methylpropoxy)-3-methylbutane?
The canonical SMILES for 1-(1-ethoxy-2-methylpropoxy)-3-methylbutane is CCOC(OCCC(C)C)C(C)C.
What is the InChIKey of 1-(1-ethoxy-2-methylpropoxy)-3-methylbutane?
The InChIKey is GHDJSUFLQIZAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-6-12-11(10(4)5)13-8-7-9(2)3/h9-11H,6-8H2,1-5H3.
What are the key properties of 1-(1-ethoxy-2-methylpropoxy)-3-methylbutane?
1-(1-ethoxy-2-methylpropoxy)-3-methylbutane 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-(1-ethoxy-2-methylpropoxy)-3-methylbutane is sourced from PubChem (CID 53428112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).