tert-butyl 2-prop-2-enoyloxyprop-2-enoate

C10H14O4 — CID 141320515

IUPACtert-butyl 2-prop-2-enoyloxyprop-2-enoate
SMILESC=CC(=O)OC(=C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H14O4/c1-6-8(11)13-7(2)9(12)14-10(3,4)5/h6H,1-2H2,3-5H3
InChIKeyXDDLFFFOXOCZPU-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.57
Rot. Bonds3

About tert-butyl 2-prop-2-enoyloxyprop-2-enoate

tert-butyl 2-prop-2-enoyloxyprop-2-enoate (PubChem CID 141320515) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is tert-butyl 2-prop-2-enoyloxyprop-2-enoate.

Molecular Properties

Compound Nametert-butyl 2-prop-2-enoyloxyprop-2-enoate
PubChem CID141320515
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Nametert-butyl 2-prop-2-enoyloxyprop-2-enoate
SMILESC=CC(=O)OC(=C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H14O4/c1-6-8(11)13-7(2)9(12)14-10(3,4)5/h6H,1-2H2,3-5H3
InChIKeyXDDLFFFOXOCZPU-UHFFFAOYSA-N
XLogP1.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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;2-methylpropan-2-ol
CID 157277842
tert-butyl prop-2-enoate;cyclopentatetracontane
CID 174869509
tert-butyl prop-2-enoate;cycloicosane
CID 174934602
tert-butyl prop-2-enoate;cyclononadecane
CID 174964635
2-prop-2-enoyloxyprop-2-enoic acid
CID 57160830
tert-butyl prop-2-enoate;carbamic acid
CID 162149452
tert-butyl prop-2-enoate;methyl prop-2-enoate
CID 174394001
tert-butyl 3,3-dimethyl-2-methylidenebutanoate;prop-2-enoic acid
CID 174780645
tert-butyl prop-2-enoate;palladium;sulfuric acid
CID 174893480

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-prop-2-enoyloxyprop-2-enoate?
The IUPAC name of tert-butyl 2-prop-2-enoyloxyprop-2-enoate (CID 141320515) is tert-butyl 2-prop-2-enoyloxyprop-2-enoate.
What is the SMILES notation for tert-butyl 2-prop-2-enoyloxyprop-2-enoate?
The canonical SMILES for tert-butyl 2-prop-2-enoyloxyprop-2-enoate is C=CC(=O)OC(=C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-prop-2-enoyloxyprop-2-enoate?
The InChIKey is XDDLFFFOXOCZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-6-8(11)13-7(2)9(12)14-10(3,4)5/h6H,1-2H2,3-5H3.
What are the key properties of tert-butyl 2-prop-2-enoyloxyprop-2-enoate?
tert-butyl 2-prop-2-enoyloxyprop-2-enoate has a molecular weight of 198.22 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-prop-2-enoyloxyprop-2-enoate is sourced from PubChem (CID 141320515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).