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

C10H16O5 — CID 22020344

IUPAC2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(=O)OC(C)(C)C
InChIInChI=1S/C10H16O5/c1-5-8(11)13-6-7-14-9(12)15-10(2,3)4/h5H,1,6-7H2,2-4H3
InChIKeyOQONQKYKMBUFLS-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.67
Rot. Bonds4

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

2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl prop-2-enoate (PubChem CID 22020344) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl prop-2-enoate
PubChem CID22020344
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(=O)OC(C)(C)C
InChIInChI=1S/C10H16O5/c1-5-8(11)13-6-7-14-9(12)15-10(2,3)4/h5H,1,6-7H2,2-4H3
InChIKeyOQONQKYKMBUFLS-UHFFFAOYSA-N
XLogP1.67
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.67
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 prop-2-enoate?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl prop-2-enoate (CID 22020344) is 2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl prop-2-enoate is C=CC(=O)OCCOC(=O)OC(C)(C)C.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl prop-2-enoate?
The InChIKey is OQONQKYKMBUFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-5-8(11)13-6-7-14-9(12)15-10(2,3)4/h5H,1,6-7H2,2-4H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl prop-2-enoate?
2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl prop-2-enoate has a molecular weight of 216.23 g/mol, XLogP of 1.67, 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 prop-2-enoate is sourced from PubChem (CID 22020344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).