1-cyclohexyl-1-ethoxy-3-ethylpentan-2-one

C15H28O2 — CID 116751188

IUPAC1-cyclohexyl-1-ethoxy-3-ethylpentan-2-one
SMILESCCOC(C(=O)C(CC)CC)C1CCCCC1
InChIInChI=1S/C15H28O2/c1-4-12(5-2)14(16)15(17-6-3)13-10-8-7-9-11-13/h12-13,15H,4-11H2,1-3H3
InChIKeyPLUBZOVORISBEZ-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.98
Rot. Bonds7

About 1-cyclohexyl-1-ethoxy-3-ethylpentan-2-one

1-cyclohexyl-1-ethoxy-3-ethylpentan-2-one (PubChem CID 116751188) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-cyclohexyl-1-ethoxy-3-ethylpentan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-1-ethoxy-3-ethylpentan-2-one
PubChem CID116751188
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name1-cyclohexyl-1-ethoxy-3-ethylpentan-2-one
SMILESCCOC(C(=O)C(CC)CC)C1CCCCC1
InChIInChI=1S/C15H28O2/c1-4-12(5-2)14(16)15(17-6-3)13-10-8-7-9-11-13/h12-13,15H,4-11H2,1-3H3
InChIKeyPLUBZOVORISBEZ-UHFFFAOYSA-N
XLogP3.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Propanone, 1-(tetrahydro-4-methyl-2H-pyran-2-yl)-
CID 89285
Ethylcyclohexyl(oxo)acetate
CID 11041407
Methyl 3-cyclohexyl-2-oxopropanoate
CID 10702634
2-Cyclohexyl-2-ethoxyacetaldehyde
CID 105434553
Ethyl 3-cyclohexyl-2-oxopropanoate
CID 316609
2-(2-Methoxyethyl)cyclohexanone
CID 566631
2-Propanone, 1-(2-methoxycyclohexyl)-
CID 574348
Ethanone, 2-(acetyloxy)-1-cyclohexyl-
CID 4318486
1-Cyclopentyl-3-ethoxypropan-2-one
CID 316616
(2R)-2-(2-methoxyethyl)cyclohexan-1-one
CID 11051899
1-Cyclohexyl-2-methoxyethanone
CID 12237915
Methyl 5-cyclohexyl-2-oxopentanoate
CID 18370338

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-ethoxy-3-ethylpentan-2-one?
The IUPAC name of 1-cyclohexyl-1-ethoxy-3-ethylpentan-2-one (CID 116751188) is 1-cyclohexyl-1-ethoxy-3-ethylpentan-2-one.
What is the SMILES notation for 1-cyclohexyl-1-ethoxy-3-ethylpentan-2-one?
The canonical SMILES for 1-cyclohexyl-1-ethoxy-3-ethylpentan-2-one is CCOC(C(=O)C(CC)CC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-ethoxy-3-ethylpentan-2-one?
The InChIKey is PLUBZOVORISBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-4-12(5-2)14(16)15(17-6-3)13-10-8-7-9-11-13/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 1-cyclohexyl-1-ethoxy-3-ethylpentan-2-one?
1-cyclohexyl-1-ethoxy-3-ethylpentan-2-one has a molecular weight of 240.39 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-ethoxy-3-ethylpentan-2-one is sourced from PubChem (CID 116751188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).