1-[1-(2-methylprop-2-enoyloxy)cyclopentyl]ethyl 2,2-dimethylpropanoate

C16H26O4 — CID 90362040

IUPAC1-[1-(2-methylprop-2-enoyloxy)cyclopentyl]ethyl 2,2-dimethylpropanoate
SMILESC=C(C)C(=O)OC1(C(C)OC(=O)C(C)(C)C)CCCC1
InChIInChI=1S/C16H26O4/c1-11(2)13(17)20-16(9-7-8-10-16)12(3)19-14(18)15(4,5)6/h12H,1,7-10H2,2-6H3
InChIKeySUDYLCOCPDYAJG-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.40
Rot. Bonds4

About 1-[1-(2-methylprop-2-enoyloxy)cyclopentyl]ethyl 2,2-dimethylpropanoate

1-[1-(2-methylprop-2-enoyloxy)cyclopentyl]ethyl 2,2-dimethylpropanoate (PubChem CID 90362040) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[1-(2-methylprop-2-enoyloxy)cyclopentyl]ethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name1-[1-(2-methylprop-2-enoyloxy)cyclopentyl]ethyl 2,2-dimethylpropanoate
PubChem CID90362040
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name1-[1-(2-methylprop-2-enoyloxy)cyclopentyl]ethyl 2,2-dimethylpropanoate
SMILESC=C(C)C(=O)OC1(C(C)OC(=O)C(C)(C)C)CCCC1
InChIInChI=1S/C16H26O4/c1-11(2)13(17)20-16(9-7-8-10-16)12(3)19-14(18)15(4,5)6/h12H,1,7-10H2,2-6H3
InChIKeySUDYLCOCPDYAJG-UHFFFAOYSA-N
XLogP3.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[1,1,1,3,3,3-hexafluoro-2-[1-(2-methylprop-2-enoyloxy)cyclopentyl]propan-2-yl] 2,2-dimethylpropanoate
CID 118548747
[1,2-dihydroxy-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate
CID 140677617
[2,3-dioxo-3-(1-propan-2-ylcyclohexyl)oxypropyl] 2-methylprop-2-enoate
CID 118503796
[1-(2-methylbutan-2-yl)cyclohexyl] 2-methylprop-2-enoate
CID 139892323
2,2-difluoropropyl 4-hydroxy-4-[1-(2-methylprop-2-enoyloxy)cyclohexyl]butanoate
CID 157484794
[1-(3-methylbut-1-ynyl)cyclopentyl] 2-methylprop-2-enoate
CID 167137204
[(1S)-1-chloroethyl] 2,2-dimethylpropanoate
CID 92939031
(3-methoxy-1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate
CID 58844059
(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclohexyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate;(1-propylcyclohexyl) 2-methylprop-2-enoate;(1-propylcyclopentyl) 2-methylprop-2-enoate
CID 161185628
1-bicyclo[6.2.2]dodecanyl 2-methylprop-2-enoate
CID 164546621
1-bicyclo[5.5.2]tetradecanyl 2-methylprop-2-enoate
CID 164546417
(1-propan-2-ylcyclopentyl) acetate
CID 58143154

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylprop-2-enoyloxy)cyclopentyl]ethyl 2,2-dimethylpropanoate?
The IUPAC name of 1-[1-(2-methylprop-2-enoyloxy)cyclopentyl]ethyl 2,2-dimethylpropanoate (CID 90362040) is 1-[1-(2-methylprop-2-enoyloxy)cyclopentyl]ethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 1-[1-(2-methylprop-2-enoyloxy)cyclopentyl]ethyl 2,2-dimethylpropanoate?
The canonical SMILES for 1-[1-(2-methylprop-2-enoyloxy)cyclopentyl]ethyl 2,2-dimethylpropanoate is C=C(C)C(=O)OC1(C(C)OC(=O)C(C)(C)C)CCCC1.
What is the InChIKey of 1-[1-(2-methylprop-2-enoyloxy)cyclopentyl]ethyl 2,2-dimethylpropanoate?
The InChIKey is SUDYLCOCPDYAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-11(2)13(17)20-16(9-7-8-10-16)12(3)19-14(18)15(4,5)6/h12H,1,7-10H2,2-6H3.
What are the key properties of 1-[1-(2-methylprop-2-enoyloxy)cyclopentyl]ethyl 2,2-dimethylpropanoate?
1-[1-(2-methylprop-2-enoyloxy)cyclopentyl]ethyl 2,2-dimethylpropanoate has a molecular weight of 282.38 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylprop-2-enoyloxy)cyclopentyl]ethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 90362040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).