1,1-bis(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate

C14H18O6 — CID 18699540

IUPAC1,1-bis(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(OC(=O)C(=C)C)OC(=O)C(=C)C
InChIInChI=1S/C14H18O6/c1-8(2)11(15)18-14(7,19-12(16)9(3)4)20-13(17)10(5)6/h1,3,5H2,2,4,6-7H3
InChIKeyRSQMNIZENDOUOQ-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.02
Rot. Bonds6

About 1,1-bis(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate

1,1-bis(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate (PubChem CID 18699540) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is 1,1-bis(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1,1-bis(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
PubChem CID18699540
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Name1,1-bis(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(OC(=O)C(=C)C)OC(=O)C(=C)C
InChIInChI=1S/C14H18O6/c1-8(2)11(15)18-14(7,19-12(16)9(3)4)20-13(17)10(5)6/h1,3,5H2,2,4,6-7H3
InChIKeyRSQMNIZENDOUOQ-UHFFFAOYSA-N
XLogP2.02
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate?
The IUPAC name of 1,1-bis(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate (CID 18699540) is 1,1-bis(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1,1-bis(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1,1-bis(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(OC(=O)C(=C)C)OC(=O)C(=C)C.
What is the InChIKey of 1,1-bis(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate?
The InChIKey is RSQMNIZENDOUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O6/c1-8(2)11(15)18-14(7,19-12(16)9(3)4)20-13(17)10(5)6/h1,3,5H2,2,4,6-7H3.
What are the key properties of 1,1-bis(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate?
1,1-bis(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate has a molecular weight of 282.29 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 18699540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).