tert-butyl prop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane

C13H22O5 — CID 174535709

IUPACtert-butyl prop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.C=CC(=O)OC(C)(C)C
InChIInChI=1S/C7H12O2.C6H10O3/c1-5-6(8)9-7(2,3)4;1(5-3-8-5)7-2-6-4-9-6/h5H,1H2,2-4H3;5-6H,1-4H2
InChIKeyFXPIVDSLPRVOPB-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.31
Rot. Bonds5

About tert-butyl prop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane

tert-butyl prop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 174535709) has the molecular formula C13H22O5 and a molecular weight of 258.31 g/mol. Its IUPAC name is tert-butyl prop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Nametert-butyl prop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID174535709
Molecular FormulaC13H22O5
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Nametert-butyl prop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.C=CC(=O)OC(C)(C)C
InChIInChI=1S/C7H12O2.C6H10O3/c1-5-6(8)9-7(2,3)4;1(5-3-8-5)7-2-6-4-9-6/h5H,1H2,2-4H3;5-6H,1-4H2
InChIKeyFXPIVDSLPRVOPB-UHFFFAOYSA-N
XLogP1.31
TPSA60.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl prop-2-enoate
CID 158231977
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;methanol
CID 174833528
tert-butyl prop-2-enoate;1,4-dioxane
CID 174977908
[3-(oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propyl] prop-2-enoate
CID 139503569
potassium;tert-butyl prop-2-enoate;hydride
CID 174867410
tert-butyl prop-2-enoate;2-methylpropan-2-ol
CID 157277842
oxiran-2-ylmethyl prop-2-enoate;sulfane
CID 174424436
ethanol;oxiran-2-ylmethyl prop-2-enoate
CID 87285027
[1-(oxiran-2-yl)-1-[1-(oxiran-2-yl)-1-prop-2-enoyloxyethoxy]ethyl] prop-2-enoate
CID 141266638

Frequently Asked Questions

What is the IUPAC name of tert-butyl prop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of tert-butyl prop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 174535709) is tert-butyl prop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for tert-butyl prop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for tert-butyl prop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.C=CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl prop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is FXPIVDSLPRVOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.C6H10O3/c1-5-6(8)9-7(2,3)4;1(5-3-8-5)7-2-6-4-9-6/h5H,1H2,2-4H3;5-6H,1-4H2.
What are the key properties of tert-butyl prop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane?
tert-butyl prop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 258.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl prop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 174535709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).