2-ethoxy-1-(2-ethylcyclohexyl)-3-methylbutan-1-one

C15H28O2 — CID 116708607

IUPAC2-ethoxy-1-(2-ethylcyclohexyl)-3-methylbutan-1-one
SMILESCCOC(C(=O)C1CCCCC1CC)C(C)C
InChIInChI=1S/C15H28O2/c1-5-12-9-7-8-10-13(12)14(16)15(11(3)4)17-6-2/h11-13,15H,5-10H2,1-4H3
InChIKeyVJLGEEFKIWTBPE-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.83
Rot. Bonds6

About 2-ethoxy-1-(2-ethylcyclohexyl)-3-methylbutan-1-one

2-ethoxy-1-(2-ethylcyclohexyl)-3-methylbutan-1-one (PubChem CID 116708607) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-ethoxy-1-(2-ethylcyclohexyl)-3-methylbutan-1-one.

Molecular Properties

Compound Name2-ethoxy-1-(2-ethylcyclohexyl)-3-methylbutan-1-one
PubChem CID116708607
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-ethoxy-1-(2-ethylcyclohexyl)-3-methylbutan-1-one
SMILESCCOC(C(=O)C1CCCCC1CC)C(C)C
InChIInChI=1S/C15H28O2/c1-5-12-9-7-8-10-13(12)14(16)15(11(3)4)17-6-2/h11-13,15H,5-10H2,1-4H3
InChIKeyVJLGEEFKIWTBPE-UHFFFAOYSA-N
XLogP3.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(2-ethylcyclohexyl)-3-methylbutan-1-one?
The IUPAC name of 2-ethoxy-1-(2-ethylcyclohexyl)-3-methylbutan-1-one (CID 116708607) is 2-ethoxy-1-(2-ethylcyclohexyl)-3-methylbutan-1-one.
What is the SMILES notation for 2-ethoxy-1-(2-ethylcyclohexyl)-3-methylbutan-1-one?
The canonical SMILES for 2-ethoxy-1-(2-ethylcyclohexyl)-3-methylbutan-1-one is CCOC(C(=O)C1CCCCC1CC)C(C)C.
What is the InChIKey of 2-ethoxy-1-(2-ethylcyclohexyl)-3-methylbutan-1-one?
The InChIKey is VJLGEEFKIWTBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-5-12-9-7-8-10-13(12)14(16)15(11(3)4)17-6-2/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 2-ethoxy-1-(2-ethylcyclohexyl)-3-methylbutan-1-one?
2-ethoxy-1-(2-ethylcyclohexyl)-3-methylbutan-1-one has a molecular weight of 240.39 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(2-ethylcyclohexyl)-3-methylbutan-1-one is sourced from PubChem (CID 116708607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).