2-(2,4-diethylcyclopentyl)ethyl 7-oxabicyclo[2.2.1]heptane-2-carboxylate

C18H30O3 — CID 59912499

IUPAC2-(2,4-diethylcyclopentyl)ethyl 7-oxabicyclo[2.2.1]heptane-2-carboxylate
SMILESCCC1CC(CC)C(CCOC(=O)C2CC3CCC2O3)C1
InChIInChI=1S/C18H30O3/c1-3-12-9-13(4-2)14(10-12)7-8-20-18(19)16-11-15-5-6-17(16)21-15/h12-17H,3-11H2,1-2H3
InChIKeyWIQPKZMIDJXSBC-UHFFFAOYSA-N
MW294.43 g/mol
LogP3.95
Rot. Bonds6

About 2-(2,4-diethylcyclopentyl)ethyl 7-oxabicyclo[2.2.1]heptane-2-carboxylate

2-(2,4-diethylcyclopentyl)ethyl 7-oxabicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 59912499) has the molecular formula C18H30O3 and a molecular weight of 294.43 g/mol. Its IUPAC name is 2-(2,4-diethylcyclopentyl)ethyl 7-oxabicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Name2-(2,4-diethylcyclopentyl)ethyl 7-oxabicyclo[2.2.1]heptane-2-carboxylate
PubChem CID59912499
Molecular FormulaC18H30O3
Molecular Weight294.43 g/mol
Exact Mass294.22
IUPAC Name2-(2,4-diethylcyclopentyl)ethyl 7-oxabicyclo[2.2.1]heptane-2-carboxylate
SMILESCCC1CC(CC)C(CCOC(=O)C2CC3CCC2O3)C1
InChIInChI=1S/C18H30O3/c1-3-12-9-13(4-2)14(10-12)7-8-20-18(19)16-11-15-5-6-17(16)21-15/h12-17H,3-11H2,1-2H3
InChIKeyWIQPKZMIDJXSBC-UHFFFAOYSA-N
XLogP3.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.43
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-aminoethyl 7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 58935223
2-methylsulfanylethyl 7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 126663970
2-(butylamino)ethyl 7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 58935210
2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylpropanoate
CID 129037323
2-(2-oxopyrrolidin-1-yl)ethyl 7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 58935228
[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] (1R,2R,4R)-7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 124734497
(1R,4S)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 68570977
7-oxabicyclo[2.2.1]heptan-2-ylmethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
CID 59912491
[4-(6-oxabicyclo[3.1.1]heptane-2-carbonyloxymethyl)cyclohexyl]methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 134391793
2-(2-ethylcyclopropyl)ethyl prop-2-enoate
CID 59721630
1,1-difluoro-2-[2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)acetyl]oxyethanesulfonic acid
CID 58091850
1-(1,4,7-dioxazonan-7-yl)butan-2-yl 7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 58935229

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diethylcyclopentyl)ethyl 7-oxabicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of 2-(2,4-diethylcyclopentyl)ethyl 7-oxabicyclo[2.2.1]heptane-2-carboxylate (CID 59912499) is 2-(2,4-diethylcyclopentyl)ethyl 7-oxabicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for 2-(2,4-diethylcyclopentyl)ethyl 7-oxabicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for 2-(2,4-diethylcyclopentyl)ethyl 7-oxabicyclo[2.2.1]heptane-2-carboxylate is CCC1CC(CC)C(CCOC(=O)C2CC3CCC2O3)C1.
What is the InChIKey of 2-(2,4-diethylcyclopentyl)ethyl 7-oxabicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is WIQPKZMIDJXSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3/c1-3-12-9-13(4-2)14(10-12)7-8-20-18(19)16-11-15-5-6-17(16)21-15/h12-17H,3-11H2,1-2H3.
What are the key properties of 2-(2,4-diethylcyclopentyl)ethyl 7-oxabicyclo[2.2.1]heptane-2-carboxylate?
2-(2,4-diethylcyclopentyl)ethyl 7-oxabicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 294.43 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diethylcyclopentyl)ethyl 7-oxabicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 59912499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).