tert-butyl 2-methylprop-2-enoate;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol

C17H33NO4 — CID 135359248

IUPACtert-butyl 2-methylprop-2-enoate;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol
SMILESC=C(C)C(=O)OC(C)(C)C.CC1(C)CC(O)CC(C)(C)N1O
InChIInChI=1S/C9H19NO2.C8H14O2/c1-8(2)5-7(11)6-9(3,4)10(8)12;1-6(2)7(9)10-8(3,4)5/h7,11-12H,5-6H2,1-4H3;1H2,2-5H3
InChIKeyNWGKBWMJHKJZIF-UHFFFAOYSA-N
MW315.45 g/mol
LogP3.29
Rot. Bonds1

About tert-butyl 2-methylprop-2-enoate;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol

tert-butyl 2-methylprop-2-enoate;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 135359248) has the molecular formula C17H33NO4 and a molecular weight of 315.45 g/mol. Its IUPAC name is tert-butyl 2-methylprop-2-enoate;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Nametert-butyl 2-methylprop-2-enoate;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID135359248
Molecular FormulaC17H33NO4
Molecular Weight315.45 g/mol
Exact Mass315.24
IUPAC Nametert-butyl 2-methylprop-2-enoate;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol
SMILESC=C(C)C(=O)OC(C)(C)C.CC1(C)CC(O)CC(C)(C)N1O
InChIInChI=1S/C9H19NO2.C8H14O2/c1-8(2)5-7(11)6-9(3,4)10(8)12;1-6(2)7(9)10-8(3,4)5/h7,11-12H,5-6H2,1-4H3;1H2,2-5H3
InChIKeyNWGKBWMJHKJZIF-UHFFFAOYSA-N
XLogP3.29
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol);sulfuric acid
CID 173256440
tert-butyl N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamate
CID 90701493
N,N-ditert-butylhydroxylamine;ethane;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol
CID 142932735
1-adamantyl 2-methylprop-2-enoate;tert-butyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 131721837
tert-butyl 3,4,5-trihydroxy-1-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate
CID 90854868
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
1,1-dihydroxyethyl 2-methylprop-2-enoate
CID 54314895
tert-butyl 2-methylprop-2-enoate;cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 174729608
tert-butyl 3,3,3-trifluoro-2-(2-methylprop-2-enoyloxy)-2-(trifluoromethyl)propanoate
CID 20615533
[4-(1-adamantyl)-2-methylbutan-2-yl] 2-methylprop-2-enoate
CID 139934567
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;pentakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol)
CID 173025963
2-(3,3-difluorocyclopentyl)propan-2-yl 2-methylprop-2-enoate
CID 155355016

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methylprop-2-enoate;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of tert-butyl 2-methylprop-2-enoate;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol (CID 135359248) is tert-butyl 2-methylprop-2-enoate;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for tert-butyl 2-methylprop-2-enoate;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for tert-butyl 2-methylprop-2-enoate;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol is C=C(C)C(=O)OC(C)(C)C.CC1(C)CC(O)CC(C)(C)N1O.
What is the InChIKey of tert-butyl 2-methylprop-2-enoate;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is NWGKBWMJHKJZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.C8H14O2/c1-8(2)5-7(11)6-9(3,4)10(8)12;1-6(2)7(9)10-8(3,4)5/h7,11-12H,5-6H2,1-4H3;1H2,2-5H3.
What are the key properties of tert-butyl 2-methylprop-2-enoate;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol?
tert-butyl 2-methylprop-2-enoate;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 315.45 g/mol, XLogP of 3.29, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methylprop-2-enoate;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 135359248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).