2-(2-ethylbutyl)-4-propylcyclohexan-1-one

C15H28O — CID 82928662

IUPAC2-(2-ethylbutyl)-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CC(CC)CC)C1
InChIInChI=1S/C15H28O/c1-4-7-13-8-9-15(16)14(11-13)10-12(5-2)6-3/h12-14H,4-11H2,1-3H3
InChIKeyUAHVHZDVWQSHRB-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.60
Rot. Bonds6

About 2-(2-ethylbutyl)-4-propylcyclohexan-1-one

2-(2-ethylbutyl)-4-propylcyclohexan-1-one (PubChem CID 82928662) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-(2-ethylbutyl)-4-propylcyclohexan-1-one.

Molecular Properties

Compound Name2-(2-ethylbutyl)-4-propylcyclohexan-1-one
PubChem CID82928662
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name2-(2-ethylbutyl)-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CC(CC)CC)C1
InChIInChI=1S/C15H28O/c1-4-7-13-8-9-15(16)14(11-13)10-12(5-2)6-3/h12-14H,4-11H2,1-3H3
InChIKeyUAHVHZDVWQSHRB-UHFFFAOYSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbutyl)-4-propylcyclohexan-1-one?
The IUPAC name of 2-(2-ethylbutyl)-4-propylcyclohexan-1-one (CID 82928662) is 2-(2-ethylbutyl)-4-propylcyclohexan-1-one.
What is the SMILES notation for 2-(2-ethylbutyl)-4-propylcyclohexan-1-one?
The canonical SMILES for 2-(2-ethylbutyl)-4-propylcyclohexan-1-one is CCCC1CCC(=O)C(CC(CC)CC)C1.
What is the InChIKey of 2-(2-ethylbutyl)-4-propylcyclohexan-1-one?
The InChIKey is UAHVHZDVWQSHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-4-7-13-8-9-15(16)14(11-13)10-12(5-2)6-3/h12-14H,4-11H2,1-3H3.
What are the key properties of 2-(2-ethylbutyl)-4-propylcyclohexan-1-one?
2-(2-ethylbutyl)-4-propylcyclohexan-1-one has a molecular weight of 224.39 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbutyl)-4-propylcyclohexan-1-one is sourced from PubChem (CID 82928662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).