2-(1,3-dioxolan-2-yl)-1-(3-ethylcyclohexyl)ethanone

C13H22O3 — CID 103543718

IUPAC2-(1,3-dioxolan-2-yl)-1-(3-ethylcyclohexyl)ethanone
SMILESCCC1CCCC(C(=O)CC2OCCO2)C1
InChIInChI=1S/C13H22O3/c1-2-10-4-3-5-11(8-10)12(14)9-13-15-6-7-16-13/h10-11,13H,2-9H2,1H3
InChIKeyVANNVITUFREGED-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.53
Rot. Bonds4

About 2-(1,3-dioxolan-2-yl)-1-(3-ethylcyclohexyl)ethanone

2-(1,3-dioxolan-2-yl)-1-(3-ethylcyclohexyl)ethanone (PubChem CID 103543718) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-1-(3-ethylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-1-(3-ethylcyclohexyl)ethanone
PubChem CID103543718
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name2-(1,3-dioxolan-2-yl)-1-(3-ethylcyclohexyl)ethanone
SMILESCCC1CCCC(C(=O)CC2OCCO2)C1
InChIInChI=1S/C13H22O3/c1-2-10-4-3-5-11(8-10)12(14)9-13-15-6-7-16-13/h10-11,13H,2-9H2,1H3
InChIKeyVANNVITUFREGED-UHFFFAOYSA-N
XLogP2.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-1-(3-ethylcyclopentyl)ethanone
CID 65408905
2-amino-1-(3-ethylcyclohexyl)ethanone
CID 116548368
2-(dimethylamino)-1-(3-ethylcyclohexyl)ethanone
CID 79078321
(3-ethylcyclohexyl)-(oxan-4-yl)methanone
CID 65329371
1-(3-ethylcyclohexyl)decan-1-one
CID 65401916
(3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone
CID 65406793
(3-ethylcyclohexyl)-(2-methyloxolan-3-yl)methanone
CID 114976477
1-(3-ethylcyclohexyl)-2-propan-2-yloxyethanone
CID 79566351
4-amino-1-(3-ethylcyclohexyl)pentan-1-one
CID 116571562
2-(1-adamantyl)-1-(3-ethylcyclohexyl)ethanone
CID 114976464
1-(3-ethylcyclohexyl)ethanethione
CID 175971098
1-(3-ethylcyclohexyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456180

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-1-(3-ethylcyclohexyl)ethanone?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-1-(3-ethylcyclohexyl)ethanone (CID 103543718) is 2-(1,3-dioxolan-2-yl)-1-(3-ethylcyclohexyl)ethanone.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-1-(3-ethylcyclohexyl)ethanone?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-1-(3-ethylcyclohexyl)ethanone is CCC1CCCC(C(=O)CC2OCCO2)C1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-1-(3-ethylcyclohexyl)ethanone?
The InChIKey is VANNVITUFREGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-2-10-4-3-5-11(8-10)12(14)9-13-15-6-7-16-13/h10-11,13H,2-9H2,1H3.
What are the key properties of 2-(1,3-dioxolan-2-yl)-1-(3-ethylcyclohexyl)ethanone?
2-(1,3-dioxolan-2-yl)-1-(3-ethylcyclohexyl)ethanone has a molecular weight of 226.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-1-(3-ethylcyclohexyl)ethanone is sourced from PubChem (CID 103543718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).