3-cyclopentyl-1-(2-ethylcyclohexyl)propan-1-one

C16H28O — CID 114973791

IUPAC3-cyclopentyl-1-(2-ethylcyclohexyl)propan-1-one
SMILESCCC1CCCCC1C(=O)CCC1CCCC1
InChIInChI=1S/C16H28O/c1-2-14-9-5-6-10-15(14)16(17)12-11-13-7-3-4-8-13/h13-15H,2-12H2,1H3
InChIKeyQZARAAIVADQLHJ-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.74
Rot. Bonds5

About 3-cyclopentyl-1-(2-ethylcyclohexyl)propan-1-one

3-cyclopentyl-1-(2-ethylcyclohexyl)propan-1-one (PubChem CID 114973791) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 3-cyclopentyl-1-(2-ethylcyclohexyl)propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-(2-ethylcyclohexyl)propan-1-one
PubChem CID114973791
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name3-cyclopentyl-1-(2-ethylcyclohexyl)propan-1-one
SMILESCCC1CCCCC1C(=O)CCC1CCCC1
InChIInChI=1S/C16H28O/c1-2-14-9-5-6-10-15(14)16(17)12-11-13-7-3-4-8-13/h13-15H,2-12H2,1H3
InChIKeyQZARAAIVADQLHJ-UHFFFAOYSA-N
XLogP4.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-amino-1-(2-ethylcyclohexyl)heptan-1-one
CID 116551389
1-(2-ethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103146799
2-amino-2-cyclopropyl-1-(2-ethylcyclohexyl)propan-1-one
CID 116558390
3-cyclopentyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-one
CID 114192888
(2S)-2-ethylcyclopentane-1-carboxylic acid
CID 59114270
1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethanone
CID 63862356
carbonic acid;1,2-diethylcyclohexane
CID 70579518
1-(2-ethylcyclohexyl)-2-methylprop-2-en-1-one
CID 58325604
3-cycloheptyl-1-cyclopropylpropan-1-one
CID 82923813
1-cyclohexylhexan-3-one
CID 10856142
3-cyclohexylpropanoic acid;ethane;propane
CID 169257090
3-cyclohexylpropanamide;ethane;methanamine
CID 178116013

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(2-ethylcyclohexyl)propan-1-one?
The IUPAC name of 3-cyclopentyl-1-(2-ethylcyclohexyl)propan-1-one (CID 114973791) is 3-cyclopentyl-1-(2-ethylcyclohexyl)propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-(2-ethylcyclohexyl)propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-(2-ethylcyclohexyl)propan-1-one is CCC1CCCCC1C(=O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-(2-ethylcyclohexyl)propan-1-one?
The InChIKey is QZARAAIVADQLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-2-14-9-5-6-10-15(14)16(17)12-11-13-7-3-4-8-13/h13-15H,2-12H2,1H3.
What are the key properties of 3-cyclopentyl-1-(2-ethylcyclohexyl)propan-1-one?
3-cyclopentyl-1-(2-ethylcyclohexyl)propan-1-one has a molecular weight of 236.40 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(2-ethylcyclohexyl)propan-1-one is sourced from PubChem (CID 114973791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).