tert-butyl prop-2-enoate;2-methylpropan-2-ol

C11H22O3 — CID 157277842

IUPACtert-butyl prop-2-enoate;2-methylpropan-2-ol
SMILESC=CC(=O)OC(C)(C)C.CC(C)(C)O
InChIInChI=1S/C7H12O2.C4H10O/c1-5-6(8)9-7(2,3)4;1-4(2,3)5/h5H,1H2,2-4H3;5H,1-3H3
InChIKeyAZHUVVVUXLPESC-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.29
Rot. Bonds1

About tert-butyl prop-2-enoate;2-methylpropan-2-ol

tert-butyl prop-2-enoate;2-methylpropan-2-ol (PubChem CID 157277842) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is tert-butyl prop-2-enoate;2-methylpropan-2-ol.

Molecular Properties

Compound Nametert-butyl prop-2-enoate;2-methylpropan-2-ol
PubChem CID157277842
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Nametert-butyl prop-2-enoate;2-methylpropan-2-ol
SMILESC=CC(=O)OC(C)(C)C.CC(C)(C)O
InChIInChI=1S/C7H12O2.C4H10O/c1-5-6(8)9-7(2,3)4;1-4(2,3)5/h5H,1H2,2-4H3;5H,1-3H3
InChIKeyAZHUVVVUXLPESC-UHFFFAOYSA-N
XLogP2.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl prop-2-enoate
CID 158231977
tert-butyl prop-2-enoate;methanol
CID 174833528
potassium;tert-butyl prop-2-enoate;hydride
CID 174867410
tert-butyl prop-2-enoate;cyclopentatetracontane
CID 174869509
tert-butyl prop-2-enoate;cycloicosane
CID 174934602
tert-butyl prop-2-enoate;cyclononadecane
CID 174964635
tert-butyl prop-2-enoate;carbamic acid
CID 162149452
tert-butyl prop-2-enoate;methyl prop-2-enoate
CID 174394001
tert-butyl prop-2-enoate;palladium;sulfuric acid
CID 174893480
tert-butyl prop-2-enoate;1,4-dioxane
CID 174977908
2-hydroxypropan-2-yl prop-2-enoate
CID 22726323
tert-butyl prop-2-enoate;methane;2-propan-2-ylperoxypropane
CID 174833427

Frequently Asked Questions

What is the IUPAC name of tert-butyl prop-2-enoate;2-methylpropan-2-ol?
The IUPAC name of tert-butyl prop-2-enoate;2-methylpropan-2-ol (CID 157277842) is tert-butyl prop-2-enoate;2-methylpropan-2-ol.
What is the SMILES notation for tert-butyl prop-2-enoate;2-methylpropan-2-ol?
The canonical SMILES for tert-butyl prop-2-enoate;2-methylpropan-2-ol is C=CC(=O)OC(C)(C)C.CC(C)(C)O.
What is the InChIKey of tert-butyl prop-2-enoate;2-methylpropan-2-ol?
The InChIKey is AZHUVVVUXLPESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.C4H10O/c1-5-6(8)9-7(2,3)4;1-4(2,3)5/h5H,1H2,2-4H3;5H,1-3H3.
What are the key properties of tert-butyl prop-2-enoate;2-methylpropan-2-ol?
tert-butyl prop-2-enoate;2-methylpropan-2-ol has a molecular weight of 202.29 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl prop-2-enoate;2-methylpropan-2-ol is sourced from PubChem (CID 157277842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).