[2-ethyl-3,4-bis(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate

C18H26O6 — CID 22602610

IUPAC[2-ethyl-3,4-bis(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CC)C(COC(=O)C(=C)C)OC(=O)C(=C)C
InChIInChI=1S/C18H26O6/c1-8-14(9-22-16(19)11(2)3)15(24-18(21)13(6)7)10-23-17(20)12(4)5/h14-15H,2,4,6,8-10H2,1,3,5,7H3
InChIKeyKWTUABRSVAOIBL-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.74
Rot. Bonds10

About [2-ethyl-3,4-bis(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate

[2-ethyl-3,4-bis(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate (PubChem CID 22602610) has the molecular formula C18H26O6 and a molecular weight of 338.40 g/mol. Its IUPAC name is [2-ethyl-3,4-bis(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-ethyl-3,4-bis(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
PubChem CID22602610
Molecular FormulaC18H26O6
Molecular Weight338.40 g/mol
Exact Mass338.17
IUPAC Name[2-ethyl-3,4-bis(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CC)C(COC(=O)C(=C)C)OC(=O)C(=C)C
InChIInChI=1S/C18H26O6/c1-8-14(9-22-16(19)11(2)3)15(24-18(21)13(6)7)10-23-17(20)12(4)5/h14-15H,2,4,6,8-10H2,1,3,5,7H3
InChIKeyKWTUABRSVAOIBL-UHFFFAOYSA-N
XLogP2.74
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', '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-ethyl-3,4-bis(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate?
The IUPAC name of [2-ethyl-3,4-bis(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate (CID 22602610) is [2-ethyl-3,4-bis(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-ethyl-3,4-bis(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-ethyl-3,4-bis(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(CC)C(COC(=O)C(=C)C)OC(=O)C(=C)C.
What is the InChIKey of [2-ethyl-3,4-bis(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate?
The InChIKey is KWTUABRSVAOIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O6/c1-8-14(9-22-16(19)11(2)3)15(24-18(21)13(6)7)10-23-17(20)12(4)5/h14-15H,2,4,6,8-10H2,1,3,5,7H3.
What are the key properties of [2-ethyl-3,4-bis(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate?
[2-ethyl-3,4-bis(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate has a molecular weight of 338.40 g/mol, XLogP of 2.74, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-3,4-bis(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate is sourced from PubChem (CID 22602610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).