ethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]prop-2-enoate

C11H18O5 — CID 11229968

IUPACethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]prop-2-enoate
SMILESC=C(COC(=O)OC(C)(C)C)C(=O)OCC
InChIInChI=1S/C11H18O5/c1-6-14-9(12)8(2)7-15-10(13)16-11(3,4)5/h2,6-7H2,1,3-5H3
InChIKeyBGNHJRRAICJUNF-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.06
Rot. Bonds4

About ethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]prop-2-enoate

ethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]prop-2-enoate (PubChem CID 11229968) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is ethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]prop-2-enoate
PubChem CID11229968
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Nameethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]prop-2-enoate
SMILESC=C(COC(=O)OC(C)(C)C)C(=O)OCC
InChIInChI=1S/C11H18O5/c1-6-14-9(12)8(2)7-15-10(13)16-11(3,4)5/h2,6-7H2,1,3-5H3
InChIKeyBGNHJRRAICJUNF-UHFFFAOYSA-N
XLogP2.06
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]prop-2-enoate?
The IUPAC name of ethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]prop-2-enoate (CID 11229968) is ethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]prop-2-enoate is C=C(COC(=O)OC(C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]prop-2-enoate?
The InChIKey is BGNHJRRAICJUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-6-14-9(12)8(2)7-15-10(13)16-11(3,4)5/h2,6-7H2,1,3-5H3.
What are the key properties of ethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]prop-2-enoate?
ethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]prop-2-enoate has a molecular weight of 230.26 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]prop-2-enoate is sourced from PubChem (CID 11229968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).