1-ethoxy-2-methyl-1-(2-methylpropoxy)propane

C10H22O2 — CID 146679225

IUPAC1-ethoxy-2-methyl-1-(2-methylpropoxy)propane
SMILESCCOC(OCC(C)C)C(C)C
InChIInChI=1S/C10H22O2/c1-6-11-10(9(4)5)12-7-8(2)3/h8-10H,6-7H2,1-5H3
InChIKeyUIHAHYZRRHCIRL-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.68
Rot. Bonds6

About 1-ethoxy-2-methyl-1-(2-methylpropoxy)propane

1-ethoxy-2-methyl-1-(2-methylpropoxy)propane (PubChem CID 146679225) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 1-ethoxy-2-methyl-1-(2-methylpropoxy)propane.

Molecular Properties

Compound Name1-ethoxy-2-methyl-1-(2-methylpropoxy)propane
PubChem CID146679225
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name1-ethoxy-2-methyl-1-(2-methylpropoxy)propane
SMILESCCOC(OCC(C)C)C(C)C
InChIInChI=1S/C10H22O2/c1-6-11-10(9(4)5)12-7-8(2)3/h8-10H,6-7H2,1-5H3
InChIKeyUIHAHYZRRHCIRL-UHFFFAOYSA-N
XLogP2.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.68
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-2-methyl-1-(2-methylpropoxy)propane?
The IUPAC name of 1-ethoxy-2-methyl-1-(2-methylpropoxy)propane (CID 146679225) is 1-ethoxy-2-methyl-1-(2-methylpropoxy)propane.
What is the SMILES notation for 1-ethoxy-2-methyl-1-(2-methylpropoxy)propane?
The canonical SMILES for 1-ethoxy-2-methyl-1-(2-methylpropoxy)propane is CCOC(OCC(C)C)C(C)C.
What is the InChIKey of 1-ethoxy-2-methyl-1-(2-methylpropoxy)propane?
The InChIKey is UIHAHYZRRHCIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-6-11-10(9(4)5)12-7-8(2)3/h8-10H,6-7H2,1-5H3.
What are the key properties of 1-ethoxy-2-methyl-1-(2-methylpropoxy)propane?
1-ethoxy-2-methyl-1-(2-methylpropoxy)propane has a molecular weight of 174.28 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-methyl-1-(2-methylpropoxy)propane is sourced from PubChem (CID 146679225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).