4-ethyl-3-methyl-6-(2-methylpropoxy)-2-propyloxane

C15H30O2 — CID 57022375

IUPAC4-ethyl-3-methyl-6-(2-methylpropoxy)-2-propyloxane
SMILESCCCC1OC(OCC(C)C)CC(CC)C1C
InChIInChI=1S/C15H30O2/c1-6-8-14-12(5)13(7-2)9-15(17-14)16-10-11(3)4/h11-15H,6-10H2,1-5H3
InChIKeyZJZOPPLJYBFXRG-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.24
Rot. Bonds6

About 4-ethyl-3-methyl-6-(2-methylpropoxy)-2-propyloxane

4-ethyl-3-methyl-6-(2-methylpropoxy)-2-propyloxane (PubChem CID 57022375) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 4-ethyl-3-methyl-6-(2-methylpropoxy)-2-propyloxane.

Molecular Properties

Compound Name4-ethyl-3-methyl-6-(2-methylpropoxy)-2-propyloxane
PubChem CID57022375
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name4-ethyl-3-methyl-6-(2-methylpropoxy)-2-propyloxane
SMILESCCCC1OC(OCC(C)C)CC(CC)C1C
InChIInChI=1S/C15H30O2/c1-6-8-14-12(5)13(7-2)9-15(17-14)16-10-11(3)4/h11-15H,6-10H2,1-5H3
InChIKeyZJZOPPLJYBFXRG-UHFFFAOYSA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methyl-6-(2-methylpropoxy)-2-propyloxane?
The IUPAC name of 4-ethyl-3-methyl-6-(2-methylpropoxy)-2-propyloxane (CID 57022375) is 4-ethyl-3-methyl-6-(2-methylpropoxy)-2-propyloxane.
What is the SMILES notation for 4-ethyl-3-methyl-6-(2-methylpropoxy)-2-propyloxane?
The canonical SMILES for 4-ethyl-3-methyl-6-(2-methylpropoxy)-2-propyloxane is CCCC1OC(OCC(C)C)CC(CC)C1C.
What is the InChIKey of 4-ethyl-3-methyl-6-(2-methylpropoxy)-2-propyloxane?
The InChIKey is ZJZOPPLJYBFXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-6-8-14-12(5)13(7-2)9-15(17-14)16-10-11(3)4/h11-15H,6-10H2,1-5H3.
What are the key properties of 4-ethyl-3-methyl-6-(2-methylpropoxy)-2-propyloxane?
4-ethyl-3-methyl-6-(2-methylpropoxy)-2-propyloxane has a molecular weight of 242.40 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methyl-6-(2-methylpropoxy)-2-propyloxane is sourced from PubChem (CID 57022375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).