1-(1-ethoxy-5-methyl-2-propan-2-ylcyclohexyl)propan-1-one

C15H28O2 — CID 83225587

IUPAC1-(1-ethoxy-5-methyl-2-propan-2-ylcyclohexyl)propan-1-one
SMILESCCOC1(C(=O)CC)CC(C)CCC1C(C)C
InChIInChI=1S/C15H28O2/c1-6-14(16)15(17-7-2)10-12(5)8-9-13(15)11(3)4/h11-13H,6-10H2,1-5H3
InChIKeyQAABVJUOABIKGE-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.83
Rot. Bonds5

About 1-(1-ethoxy-5-methyl-2-propan-2-ylcyclohexyl)propan-1-one

1-(1-ethoxy-5-methyl-2-propan-2-ylcyclohexyl)propan-1-one (PubChem CID 83225587) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(1-ethoxy-5-methyl-2-propan-2-ylcyclohexyl)propan-1-one.

Molecular Properties

Compound Name1-(1-ethoxy-5-methyl-2-propan-2-ylcyclohexyl)propan-1-one
PubChem CID83225587
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name1-(1-ethoxy-5-methyl-2-propan-2-ylcyclohexyl)propan-1-one
SMILESCCOC1(C(=O)CC)CC(C)CCC1C(C)C
InChIInChI=1S/C15H28O2/c1-6-14(16)15(17-7-2)10-12(5)8-9-13(15)11(3)4/h11-13H,6-10H2,1-5H3
InChIKeyQAABVJUOABIKGE-UHFFFAOYSA-N
XLogP3.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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 1-(1-ethoxy-5-methyl-2-propan-2-ylcyclohexyl)propan-1-one?
The IUPAC name of 1-(1-ethoxy-5-methyl-2-propan-2-ylcyclohexyl)propan-1-one (CID 83225587) is 1-(1-ethoxy-5-methyl-2-propan-2-ylcyclohexyl)propan-1-one.
What is the SMILES notation for 1-(1-ethoxy-5-methyl-2-propan-2-ylcyclohexyl)propan-1-one?
The canonical SMILES for 1-(1-ethoxy-5-methyl-2-propan-2-ylcyclohexyl)propan-1-one is CCOC1(C(=O)CC)CC(C)CCC1C(C)C.
What is the InChIKey of 1-(1-ethoxy-5-methyl-2-propan-2-ylcyclohexyl)propan-1-one?
The InChIKey is QAABVJUOABIKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-6-14(16)15(17-7-2)10-12(5)8-9-13(15)11(3)4/h11-13H,6-10H2,1-5H3.
What are the key properties of 1-(1-ethoxy-5-methyl-2-propan-2-ylcyclohexyl)propan-1-one?
1-(1-ethoxy-5-methyl-2-propan-2-ylcyclohexyl)propan-1-one has a molecular weight of 240.39 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-5-methyl-2-propan-2-ylcyclohexyl)propan-1-one is sourced from PubChem (CID 83225587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).