1-(3-ethylcyclohexyl)-2-propan-2-yloxyethanone

C13H24O2 — CID 79566351

IUPAC1-(3-ethylcyclohexyl)-2-propan-2-yloxyethanone
SMILESCCC1CCCC(C(=O)COC(C)C)C1
InChIInChI=1S/C13H24O2/c1-4-11-6-5-7-12(8-11)13(14)9-15-10(2)3/h10-12H,4-9H2,1-3H3
InChIKeyHYBOOSDECWUONO-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.20
Rot. Bonds5

About 1-(3-ethylcyclohexyl)-2-propan-2-yloxyethanone

1-(3-ethylcyclohexyl)-2-propan-2-yloxyethanone (PubChem CID 79566351) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)-2-propan-2-yloxyethanone
PubChem CID79566351
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name1-(3-ethylcyclohexyl)-2-propan-2-yloxyethanone
SMILESCCC1CCCC(C(=O)COC(C)C)C1
InChIInChI=1S/C13H24O2/c1-4-11-6-5-7-12(8-11)13(14)9-15-10(2)3/h10-12H,4-9H2,1-3H3
InChIKeyHYBOOSDECWUONO-UHFFFAOYSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-2-propan-2-yloxyethanone
CID 79567551
1-(3-aminocyclopentyl)-2-propan-2-yloxyethanone
CID 116587127
2-amino-1-(3-ethylcyclohexyl)ethanone
CID 116548368
4-amino-1-(3-ethylcyclohexyl)pentan-1-one
CID 116571562
2-(dimethylamino)-1-(3-ethylcyclohexyl)ethanone
CID 79078321
1-(3,4-dimethylcyclohexyl)-2-propan-2-yloxyethanone
CID 105105339
1-(3-ethylcyclohexyl)decan-1-one
CID 65401916
2-(1-adamantyl)-1-(3-ethylcyclohexyl)ethanone
CID 114976464
(3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone
CID 65406793
2-(1,3-dioxolan-2-yl)-1-(3-ethylcyclohexyl)ethanone
CID 103543718
1-(3-ethylcyclohexyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456180
3-(3-ethylcyclohexyl)-4-methylpentan-2-one
CID 79417882

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(3-ethylcyclohexyl)-2-propan-2-yloxyethanone (CID 79566351) is 1-(3-ethylcyclohexyl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(3-ethylcyclohexyl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(3-ethylcyclohexyl)-2-propan-2-yloxyethanone is CCC1CCCC(C(=O)COC(C)C)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)-2-propan-2-yloxyethanone?
The InChIKey is HYBOOSDECWUONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-11-6-5-7-12(8-11)13(14)9-15-10(2)3/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-(3-ethylcyclohexyl)-2-propan-2-yloxyethanone?
1-(3-ethylcyclohexyl)-2-propan-2-yloxyethanone has a molecular weight of 212.33 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 79566351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).