[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2-(2-methoxy-2-oxoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate

C20H28O6 — CID 22978988

IUPAC[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2-(2-methoxy-2-oxoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCCC1(OC(=O)COC(=O)C2(CC(=O)OC)CC3C=CC2C3)CCCC1
InChIInChI=1S/C20H28O6/c1-3-19(8-4-5-9-19)26-17(22)13-25-18(23)20(12-16(21)24-2)11-14-6-7-15(20)10-14/h6-7,14-15H,3-5,8-13H2,1-2H3
InChIKeySVIYGEXGWOEJRS-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.94
Rot. Bonds7

About [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2-(2-methoxy-2-oxoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate

[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2-(2-methoxy-2-oxoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 22978988) has the molecular formula C20H28O6 and a molecular weight of 364.44 g/mol. Its IUPAC name is [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2-(2-methoxy-2-oxoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Name[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2-(2-methoxy-2-oxoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID22978988
Molecular FormulaC20H28O6
Molecular Weight364.44 g/mol
Exact Mass364.19
IUPAC Name[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2-(2-methoxy-2-oxoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCCC1(OC(=O)COC(=O)C2(CC(=O)OC)CC3C=CC2C3)CCCC1
InChIInChI=1S/C20H28O6/c1-3-19(8-4-5-9-19)26-17(22)13-25-18(23)20(12-16(21)24-2)11-14-6-7-15(20)10-14/h6-7,14-15H,3-5,8-13H2,1-2H3
InChIKeySVIYGEXGWOEJRS-UHFFFAOYSA-N
XLogP2.94
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-(2-chloroethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 70591056
2-(2-butoxy-2-oxoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 22172317
[3-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-1-adamantyl] 2-methylpropanoate
CID 159745081
(1-ethylcyclopentyl) methyl carbonate
CID 59539839
(1R,2R,4R)-2-(2-methylpropyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 130934634
2-(2-amino-2-oxoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 117100339
[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoro-2-(trioxidanylsulfanyl)acetate
CID 59814224
(1-ethylcyclohexyl) methyl carbonate
CID 59539840
methyl 2-[1-(2-methoxy-2-oxoethyl)-3-methylcyclohexyl]acetate
CID 101326115
[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 3,3-difluoro-2,2-dimethylpropanoate
CID 58391814
methyl 2-[1-(acetamidomethyl)cyclopentyl]acetate
CID 142068659
[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-[2,2-difluoro-2-(trioxidanylsulfanyl)acetyl]oxyadamantane-1-carboxylate
CID 89027582

Frequently Asked Questions

What is the IUPAC name of [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2-(2-methoxy-2-oxoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2-(2-methoxy-2-oxoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 22978988) is [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2-(2-methoxy-2-oxoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2-(2-methoxy-2-oxoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2-(2-methoxy-2-oxoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate is CCC1(OC(=O)COC(=O)C2(CC(=O)OC)CC3C=CC2C3)CCCC1.
What is the InChIKey of [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2-(2-methoxy-2-oxoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is SVIYGEXGWOEJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O6/c1-3-19(8-4-5-9-19)26-17(22)13-25-18(23)20(12-16(21)24-2)11-14-6-7-15(20)10-14/h6-7,14-15H,3-5,8-13H2,1-2H3.
What are the key properties of [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2-(2-methoxy-2-oxoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate?
[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2-(2-methoxy-2-oxoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 364.44 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2-(2-methoxy-2-oxoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 22978988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).