[1-(2,4-diethylcyclopentyl)-1-(2-oxooxolan-3-yl)ethyl] acetate

C17H28O4 — CID 20608156

IUPAC[1-(2,4-diethylcyclopentyl)-1-(2-oxooxolan-3-yl)ethyl] acetate
SMILESCCC1CC(CC)C(C(C)(OC(C)=O)C2CCOC2=O)C1
InChIInChI=1S/C17H28O4/c1-5-12-9-13(6-2)15(10-12)17(4,21-11(3)18)14-7-8-20-16(14)19/h12-15H,5-10H2,1-4H3
InChIKeyKPHOOVABZXAKOE-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.33
Rot. Bonds5

About [1-(2,4-diethylcyclopentyl)-1-(2-oxooxolan-3-yl)ethyl] acetate

[1-(2,4-diethylcyclopentyl)-1-(2-oxooxolan-3-yl)ethyl] acetate (PubChem CID 20608156) has the molecular formula C17H28O4 and a molecular weight of 296.41 g/mol. Its IUPAC name is [1-(2,4-diethylcyclopentyl)-1-(2-oxooxolan-3-yl)ethyl] acetate.

Molecular Properties

Compound Name[1-(2,4-diethylcyclopentyl)-1-(2-oxooxolan-3-yl)ethyl] acetate
PubChem CID20608156
Molecular FormulaC17H28O4
Molecular Weight296.41 g/mol
Exact Mass296.20
IUPAC Name[1-(2,4-diethylcyclopentyl)-1-(2-oxooxolan-3-yl)ethyl] acetate
SMILESCCC1CC(CC)C(C(C)(OC(C)=O)C2CCOC2=O)C1
InChIInChI=1S/C17H28O4/c1-5-12-9-13(6-2)15(10-12)17(4,21-11(3)18)14-7-8-20-16(14)19/h12-15H,5-10H2,1-4H3
InChIKeyKPHOOVABZXAKOE-UHFFFAOYSA-N
XLogP3.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Diethyl 2-oxo-1-oxaspiro[4.4]nonane-3,4-dicarboxylate
CID 2836711
Simplextone D
CID 71665570
methyl (2R,3S,5S)-2-(3-methoxy-3-oxopropyl)-5-propyloxolane-3-carboxylate
CID 137640565
Simplextone B
CID 53363204
2-Oxo-1-oxa-spiro[4.5]decane-4-carboxylic acid ethyl ester
CID 2836714
Diethyl 2-[1-(oxolan-2-yl)ethyl]propanedioate
CID 25179163
[1-(2,4-Diethylcyclopentyl)-1-(2-oxooxolan-3-yl)ethyl] 2,2,2-trifluoroacetate
CID 20608155
[(2,4-Diethylcyclopentyl)-(2-oxooxolan-3-yl)methyl] 2,2,2-trifluoroacetate
CID 20608163
Ethyl 3-iodo-1-oxaspiro[4.4]nonane-4-carboxylate
CID 10448898
3-Ethoxycarbonyl-4-methyl-5,5-pentamethylene-tetrahydrofuranone
CID 11514238
ethyl (1S,2R,3R)-3-(2-ethoxy-2-oxoethyl)-2-hydroxy-1,2-dimethylcyclopentane-1-carboxylate
CID 14491871
dimethyl (3aS,6aR,9aR,9bS)-2-oxo-3,3a,4,5,6,6a,7,8,9a,9b-decahydroazuleno[8,7-b]furan-9,9-dicarboxylate
CID 101373750

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-diethylcyclopentyl)-1-(2-oxooxolan-3-yl)ethyl] acetate?
The IUPAC name of [1-(2,4-diethylcyclopentyl)-1-(2-oxooxolan-3-yl)ethyl] acetate (CID 20608156) is [1-(2,4-diethylcyclopentyl)-1-(2-oxooxolan-3-yl)ethyl] acetate.
What is the SMILES notation for [1-(2,4-diethylcyclopentyl)-1-(2-oxooxolan-3-yl)ethyl] acetate?
The canonical SMILES for [1-(2,4-diethylcyclopentyl)-1-(2-oxooxolan-3-yl)ethyl] acetate is CCC1CC(CC)C(C(C)(OC(C)=O)C2CCOC2=O)C1.
What is the InChIKey of [1-(2,4-diethylcyclopentyl)-1-(2-oxooxolan-3-yl)ethyl] acetate?
The InChIKey is KPHOOVABZXAKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4/c1-5-12-9-13(6-2)15(10-12)17(4,21-11(3)18)14-7-8-20-16(14)19/h12-15H,5-10H2,1-4H3.
What are the key properties of [1-(2,4-diethylcyclopentyl)-1-(2-oxooxolan-3-yl)ethyl] acetate?
[1-(2,4-diethylcyclopentyl)-1-(2-oxooxolan-3-yl)ethyl] acetate has a molecular weight of 296.41 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-diethylcyclopentyl)-1-(2-oxooxolan-3-yl)ethyl] acetate is sourced from PubChem (CID 20608156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).