[2-ethyl-2-(3-hydroxy-3-methylbutan-2-yl)oxycyclopropyl] 2-methylprop-2-enoate

C14H24O4 — CID 129118640

IUPAC[2-ethyl-2-(3-hydroxy-3-methylbutan-2-yl)oxycyclopropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC1(CC)OC(C)C(C)(C)O
InChIInChI=1S/C14H24O4/c1-7-14(18-10(4)13(5,6)16)8-11(14)17-12(15)9(2)3/h10-11,16H,2,7-8H2,1,3-6H3
InChIKeyXDZDFNYOLKWMLW-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.20
Rot. Bonds6

About [2-ethyl-2-(3-hydroxy-3-methylbutan-2-yl)oxycyclopropyl] 2-methylprop-2-enoate

[2-ethyl-2-(3-hydroxy-3-methylbutan-2-yl)oxycyclopropyl] 2-methylprop-2-enoate (PubChem CID 129118640) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is [2-ethyl-2-(3-hydroxy-3-methylbutan-2-yl)oxycyclopropyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-ethyl-2-(3-hydroxy-3-methylbutan-2-yl)oxycyclopropyl] 2-methylprop-2-enoate
PubChem CID129118640
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name[2-ethyl-2-(3-hydroxy-3-methylbutan-2-yl)oxycyclopropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC1(CC)OC(C)C(C)(C)O
InChIInChI=1S/C14H24O4/c1-7-14(18-10(4)13(5,6)16)8-11(14)17-12(15)9(2)3/h10-11,16H,2,7-8H2,1,3-6H3
InChIKeyXDZDFNYOLKWMLW-UHFFFAOYSA-N
XLogP2.20
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.20
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-(2-hydroxy-2-methylpropoxy)cyclopropyl] 2-methylprop-2-enoate
CID 129118814
[2-methyl-1-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 139940333
butane-2,2-diol;cyclohexyl 2-methylprop-2-enoate
CID 174949119
1-[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]ethyl 2-methylprop-2-enoate;[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]methyl 2-methylprop-2-enoate;[2-ethyl-2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl] 2-methylprop-2-enoate;[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl] 2-methylprop-2-enoate;[2-(3-hydroxy-3-methylbutan-2-yl)oxy-2-methylcyclohexyl] 2-methylprop-2-enoate;[3-(3-hydroxy-3-methylbutan-2-yl)oxy-3-methylcyclohexyl] 2-methylprop-2-enoate;1-[3-methyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]ethyl 2-methylprop-2-enoate;[3-methyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]methyl 2-methylprop-2-enoate;[4-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-2-yl]oxycyclohexyl] 2-methylprop-2-enoate
CID 159415067
[3-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]cyclobutyl] 2-methylprop-2-enoate
CID 129118690
1-phosphanylpropyl 2-methylprop-2-enoate
CID 155643080
(2-ethyl-2-methylcyclopentyl) 2-methylprop-2-enoate;(2-ethyl-2-methylcyclopentyl) prop-2-enoate
CID 175512236
(4-ethyl-4-hydroxycyclohexyl) 2-methylprop-2-enoate
CID 130305226
[3-methyl-3-(methylamino)pentan-2-yl] 2-methylprop-2-enoate
CID 91213887
(3-amino-3-hydroxybutan-2-yl) 2-methylprop-2-enoate;azane;dihydrochloride
CID 173041464
[(2S)-2-ethyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 101419322
(5-ethyl-1-hydroxy-5-methylheptyl) 2-methylprop-2-enoate
CID 87399518

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-2-(3-hydroxy-3-methylbutan-2-yl)oxycyclopropyl] 2-methylprop-2-enoate?
The IUPAC name of [2-ethyl-2-(3-hydroxy-3-methylbutan-2-yl)oxycyclopropyl] 2-methylprop-2-enoate (CID 129118640) is [2-ethyl-2-(3-hydroxy-3-methylbutan-2-yl)oxycyclopropyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-ethyl-2-(3-hydroxy-3-methylbutan-2-yl)oxycyclopropyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-ethyl-2-(3-hydroxy-3-methylbutan-2-yl)oxycyclopropyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1CC1(CC)OC(C)C(C)(C)O.
What is the InChIKey of [2-ethyl-2-(3-hydroxy-3-methylbutan-2-yl)oxycyclopropyl] 2-methylprop-2-enoate?
The InChIKey is XDZDFNYOLKWMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-7-14(18-10(4)13(5,6)16)8-11(14)17-12(15)9(2)3/h10-11,16H,2,7-8H2,1,3-6H3.
What are the key properties of [2-ethyl-2-(3-hydroxy-3-methylbutan-2-yl)oxycyclopropyl] 2-methylprop-2-enoate?
[2-ethyl-2-(3-hydroxy-3-methylbutan-2-yl)oxycyclopropyl] 2-methylprop-2-enoate has a molecular weight of 256.34 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-2-(3-hydroxy-3-methylbutan-2-yl)oxycyclopropyl] 2-methylprop-2-enoate is sourced from PubChem (CID 129118640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).