1-(2-methylpropoxy)ethoxymethylcyclohexane

C13H26O2 — CID 67523112

IUPAC1-(2-methylpropoxy)ethoxymethylcyclohexane
SMILESCC(C)COC(C)OCC1CCCCC1
InChIInChI=1S/C13H26O2/c1-11(2)9-14-12(3)15-10-13-7-5-4-6-8-13/h11-13H,4-10H2,1-3H3
InChIKeyJLAPTNLMQLSDOF-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.60
Rot. Bonds6

About 1-(2-methylpropoxy)ethoxymethylcyclohexane

1-(2-methylpropoxy)ethoxymethylcyclohexane (PubChem CID 67523112) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(2-methylpropoxy)ethoxymethylcyclohexane.

Molecular Properties

Compound Name1-(2-methylpropoxy)ethoxymethylcyclohexane
PubChem CID67523112
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name1-(2-methylpropoxy)ethoxymethylcyclohexane
SMILESCC(C)COC(C)OCC1CCCCC1
InChIInChI=1S/C13H26O2/c1-11(2)9-14-12(3)15-10-13-7-5-4-6-8-13/h11-13H,4-10H2,1-3H3
InChIKeyJLAPTNLMQLSDOF-UHFFFAOYSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.60
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-(2-methylpropoxy)ethoxymethylcyclohexane?
The IUPAC name of 1-(2-methylpropoxy)ethoxymethylcyclohexane (CID 67523112) is 1-(2-methylpropoxy)ethoxymethylcyclohexane.
What is the SMILES notation for 1-(2-methylpropoxy)ethoxymethylcyclohexane?
The canonical SMILES for 1-(2-methylpropoxy)ethoxymethylcyclohexane is CC(C)COC(C)OCC1CCCCC1.
What is the InChIKey of 1-(2-methylpropoxy)ethoxymethylcyclohexane?
The InChIKey is JLAPTNLMQLSDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-11(2)9-14-12(3)15-10-13-7-5-4-6-8-13/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-(2-methylpropoxy)ethoxymethylcyclohexane?
1-(2-methylpropoxy)ethoxymethylcyclohexane has a molecular weight of 214.35 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxy)ethoxymethylcyclohexane is sourced from PubChem (CID 67523112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).