2-(2-ethylcyclohexyl)oxy-1-(oxolan-3-yl)ethanone

C14H24O3 — CID 104751674

IUPAC2-(2-ethylcyclohexyl)oxy-1-(oxolan-3-yl)ethanone
SMILESCCC1CCCCC1OCC(=O)C1CCOC1
InChIInChI=1S/C14H24O3/c1-2-11-5-3-4-6-14(11)17-10-13(15)12-7-8-16-9-12/h11-12,14H,2-10H2,1H3
InChIKeySVZXKDZTFYREAX-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.58
Rot. Bonds5

About 2-(2-ethylcyclohexyl)oxy-1-(oxolan-3-yl)ethanone

2-(2-ethylcyclohexyl)oxy-1-(oxolan-3-yl)ethanone (PubChem CID 104751674) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 2-(2-ethylcyclohexyl)oxy-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-ethylcyclohexyl)oxy-1-(oxolan-3-yl)ethanone
PubChem CID104751674
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name2-(2-ethylcyclohexyl)oxy-1-(oxolan-3-yl)ethanone
SMILESCCC1CCCCC1OCC(=O)C1CCOC1
InChIInChI=1S/C14H24O3/c1-2-11-5-3-4-6-14(11)17-10-13(15)12-7-8-16-9-12/h11-12,14H,2-10H2,1H3
InChIKeySVZXKDZTFYREAX-UHFFFAOYSA-N
XLogP2.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-2-(2-ethylcyclohexyl)oxyethanone
CID 104751673
2-(2-ethylcyclohexyl)oxy-1-(oxolan-3-yl)ethanol
CID 104753532
ethyl 2-(2-ethylcyclohexyl)oxyacetate
CID 43119660
2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanone
CID 104751821
2-(3-methylbutoxy)-1-(oxolan-3-yl)ethanone
CID 104751689
1-(2-ethylcyclohexyl)oxy-3-(oxolan-3-ylamino)propan-2-ol
CID 80714151
2-(2-ethylcyclohexyl)oxy-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104748738
(2-ethylcyclohexyl)-(oxan-3-yl)methanone
CID 65331736
2-[(2-ethylcyclohexyl)oxymethyl]prop-2-ene-1-thiol
CID 103073679
1-(oxolan-3-yl)heptan-1-one
CID 65330226
4-methyl-1-(oxolan-3-yl)pentan-1-one
CID 63563225
1-(oxolan-3-yl)nonan-1-one
CID 65330227

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylcyclohexyl)oxy-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-(2-ethylcyclohexyl)oxy-1-(oxolan-3-yl)ethanone (CID 104751674) is 2-(2-ethylcyclohexyl)oxy-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-(2-ethylcyclohexyl)oxy-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-(2-ethylcyclohexyl)oxy-1-(oxolan-3-yl)ethanone is CCC1CCCCC1OCC(=O)C1CCOC1.
What is the InChIKey of 2-(2-ethylcyclohexyl)oxy-1-(oxolan-3-yl)ethanone?
The InChIKey is SVZXKDZTFYREAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-2-11-5-3-4-6-14(11)17-10-13(15)12-7-8-16-9-12/h11-12,14H,2-10H2,1H3.
What are the key properties of 2-(2-ethylcyclohexyl)oxy-1-(oxolan-3-yl)ethanone?
2-(2-ethylcyclohexyl)oxy-1-(oxolan-3-yl)ethanone has a molecular weight of 240.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylcyclohexyl)oxy-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 104751674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).