2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl 2-methylprop-2-enoate

C11H18O5 — CID 20769920

IUPAC2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)OC(C)(C)C
InChIInChI=1S/C11H18O5/c1-8(2)9(12)14-6-7-15-10(13)16-11(3,4)5/h1,6-7H2,2-5H3
InChIKeyGIJDMDYMDZGVST-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.06
Rot. Bonds4

About 2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl 2-methylprop-2-enoate

2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl 2-methylprop-2-enoate (PubChem CID 20769920) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl 2-methylprop-2-enoate
PubChem CID20769920
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)OC(C)(C)C
InChIInChI=1S/C11H18O5/c1-8(2)9(12)14-6-7-15-10(13)16-11(3,4)5/h1,6-7H2,2-5H3
InChIKeyGIJDMDYMDZGVST-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl 2-methylprop-2-enoate (CID 20769920) is 2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOC(=O)OC(C)(C)C.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl 2-methylprop-2-enoate?
The InChIKey is GIJDMDYMDZGVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-8(2)9(12)14-6-7-15-10(13)16-11(3,4)5/h1,6-7H2,2-5H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl 2-methylprop-2-enoate?
2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl 2-methylprop-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 2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 20769920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).