[1-(2-ethoxy-2-oxoethyl)cyclopentyl] 2,2-dimethylbutanoate

C15H26O4 — CID 155620166

IUPAC[1-(2-ethoxy-2-oxoethyl)cyclopentyl] 2,2-dimethylbutanoate
SMILESCCOC(=O)CC1(OC(=O)C(C)(C)CC)CCCC1
InChIInChI=1S/C15H26O4/c1-5-14(3,4)13(17)19-15(9-7-8-10-15)11-12(16)18-6-2/h5-11H2,1-4H3
InChIKeyMWPNMJVTDLPRER-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.23
Rot. Bonds6

About [1-(2-ethoxy-2-oxoethyl)cyclopentyl] 2,2-dimethylbutanoate

[1-(2-ethoxy-2-oxoethyl)cyclopentyl] 2,2-dimethylbutanoate (PubChem CID 155620166) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is [1-(2-ethoxy-2-oxoethyl)cyclopentyl] 2,2-dimethylbutanoate.

Molecular Properties

Compound Name[1-(2-ethoxy-2-oxoethyl)cyclopentyl] 2,2-dimethylbutanoate
PubChem CID155620166
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name[1-(2-ethoxy-2-oxoethyl)cyclopentyl] 2,2-dimethylbutanoate
SMILESCCOC(=O)CC1(OC(=O)C(C)(C)CC)CCCC1
InChIInChI=1S/C15H26O4/c1-5-14(3,4)13(17)19-15(9-7-8-10-15)11-12(16)18-6-2/h5-11H2,1-4H3
InChIKeyMWPNMJVTDLPRER-UHFFFAOYSA-N
XLogP3.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(2,2-difluoropropoxy)-2-oxoethyl]cyclohexyl] 2,2-dimethylbutanoate
CID 58559966
(1-pentylcyclopentyl) 2,2-dimethylbutanoate
CID 118933720
[1-(2-methylbutyl)cyclopentyl] 2,2-dimethylbutanoate
CID 121368364
(1-ethylcycloheptyl) 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane;(1-methylcyclodecyl) 2,2-dimethylbutanoate;(1-methylcyclododecyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate
CID 162117868
[2-oxo-2-(1-propylcyclopentyl)oxyethyl] 2,2-dimethylbutanoate
CID 58887272
[1-(3-ethylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate
CID 134352495
(1-tert-butylcyclohexyl) 2,2-dimethylbutanoate
CID 58776795
(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;methane
CID 162048791
[1-[2-(2,2-difluoropropoxy)-2-oxoethyl]cyclopentyl] 2,4,4-trimethyl-2-propan-2-ylhexanoate
CID 70850353
(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate
CID 21049876
(1-ethenylcyclopentyl) 2,2-dimethylbutanoate
CID 121402444
(1-pentan-3-ylcyclopentyl) 2,2-dimethylbutanoate
CID 121368371

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethoxy-2-oxoethyl)cyclopentyl] 2,2-dimethylbutanoate?
The IUPAC name of [1-(2-ethoxy-2-oxoethyl)cyclopentyl] 2,2-dimethylbutanoate (CID 155620166) is [1-(2-ethoxy-2-oxoethyl)cyclopentyl] 2,2-dimethylbutanoate.
What is the SMILES notation for [1-(2-ethoxy-2-oxoethyl)cyclopentyl] 2,2-dimethylbutanoate?
The canonical SMILES for [1-(2-ethoxy-2-oxoethyl)cyclopentyl] 2,2-dimethylbutanoate is CCOC(=O)CC1(OC(=O)C(C)(C)CC)CCCC1.
What is the InChIKey of [1-(2-ethoxy-2-oxoethyl)cyclopentyl] 2,2-dimethylbutanoate?
The InChIKey is MWPNMJVTDLPRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-5-14(3,4)13(17)19-15(9-7-8-10-15)11-12(16)18-6-2/h5-11H2,1-4H3.
What are the key properties of [1-(2-ethoxy-2-oxoethyl)cyclopentyl] 2,2-dimethylbutanoate?
[1-(2-ethoxy-2-oxoethyl)cyclopentyl] 2,2-dimethylbutanoate has a molecular weight of 270.37 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethoxy-2-oxoethyl)cyclopentyl] 2,2-dimethylbutanoate is sourced from PubChem (CID 155620166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).