[2-ethyl-2-(2-hydroxy-2-methylpropoxy)cyclopropyl] 2-methylprop-2-enoate

C13H22O4 — CID 129118814

IUPAC[2-ethyl-2-(2-hydroxy-2-methylpropoxy)cyclopropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC1(CC)OCC(C)(C)O
InChIInChI=1S/C13H22O4/c1-6-13(16-8-12(4,5)15)7-10(13)17-11(14)9(2)3/h10,15H,2,6-8H2,1,3-5H3
InChIKeyKUGSYWHUUMIZRB-UHFFFAOYSA-N
MW242.31 g/mol
LogP1.81
Rot. Bonds6

About [2-ethyl-2-(2-hydroxy-2-methylpropoxy)cyclopropyl] 2-methylprop-2-enoate

[2-ethyl-2-(2-hydroxy-2-methylpropoxy)cyclopropyl] 2-methylprop-2-enoate (PubChem CID 129118814) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is [2-ethyl-2-(2-hydroxy-2-methylpropoxy)cyclopropyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-ethyl-2-(2-hydroxy-2-methylpropoxy)cyclopropyl] 2-methylprop-2-enoate
PubChem CID129118814
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name[2-ethyl-2-(2-hydroxy-2-methylpropoxy)cyclopropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC1(CC)OCC(C)(C)O
InChIInChI=1S/C13H22O4/c1-6-13(16-8-12(4,5)15)7-10(13)17-11(14)9(2)3/h10,15H,2,6-8H2,1,3-5H3
InChIKeyKUGSYWHUUMIZRB-UHFFFAOYSA-N
XLogP1.81
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-ethyl-2-(3-hydroxy-3-methylbutan-2-yl)oxycyclopropyl] 2-methylprop-2-enoate
CID 129118640
[2-[2-(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl)oxypropan-2-yl]-2-[2-[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl]oxypropan-2-yl]cyclopropyl] 2-methylprop-2-enoate
CID 129118866
[4-ethyl-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclohexyl] 2-methylprop-2-enoate
CID 129118646
butane-2,2-diol;cyclohexyl 2-methylprop-2-enoate
CID 174949119
[3,5-bis[3-(2-hydroxy-2-methylpropoxy)pentan-3-yl]-1-adamantyl] 2-methylprop-2-enoate
CID 129118948
1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-ol;[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 158735519
[5-(2,2-dimethylpropoxymethoxy)-2-adamantyl] 2-methylprop-2-enoate
CID 118920752
(4-ethyl-4-hydroxycyclohexyl) 2-methylprop-2-enoate
CID 130305226
[(2S)-2-ethyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 101419322
[5-ethyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclodecyl] 2-methylprop-2-enoate
CID 129118739
[4-ethyl-4-(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl)oxycycloheptyl] 2-methylprop-2-enoate
CID 129118673
(4-butylcyclohexyl) 2-methylprop-2-enoate
CID 19083728

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-2-(2-hydroxy-2-methylpropoxy)cyclopropyl] 2-methylprop-2-enoate?
The IUPAC name of [2-ethyl-2-(2-hydroxy-2-methylpropoxy)cyclopropyl] 2-methylprop-2-enoate (CID 129118814) is [2-ethyl-2-(2-hydroxy-2-methylpropoxy)cyclopropyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-ethyl-2-(2-hydroxy-2-methylpropoxy)cyclopropyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-ethyl-2-(2-hydroxy-2-methylpropoxy)cyclopropyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1CC1(CC)OCC(C)(C)O.
What is the InChIKey of [2-ethyl-2-(2-hydroxy-2-methylpropoxy)cyclopropyl] 2-methylprop-2-enoate?
The InChIKey is KUGSYWHUUMIZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4/c1-6-13(16-8-12(4,5)15)7-10(13)17-11(14)9(2)3/h10,15H,2,6-8H2,1,3-5H3.
What are the key properties of [2-ethyl-2-(2-hydroxy-2-methylpropoxy)cyclopropyl] 2-methylprop-2-enoate?
[2-ethyl-2-(2-hydroxy-2-methylpropoxy)cyclopropyl] 2-methylprop-2-enoate has a molecular weight of 242.31 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-2-(2-hydroxy-2-methylpropoxy)cyclopropyl] 2-methylprop-2-enoate is sourced from PubChem (CID 129118814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).