2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate

C18H26O6 — CID 18689

IUPAC2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C
InChIInChI=1S/C18H26O6/c1-8-18(9-22-15(19)12(2)3,10-23-16(20)13(4)5)11-24-17(21)14(6)7/h2,4,6,8-11H2,1,3,5,7H3
InChIKeyOKKRPWIIYQTPQF-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.74
Rot. Bonds10

About 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate

2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate (PubChem CID 18689) has the molecular formula C18H26O6 and a molecular weight of 338.40 g/mol. Its IUPAC name is 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate
PubChem CID18689
Molecular FormulaC18H26O6
Molecular Weight338.40 g/mol
Exact Mass338.17
IUPAC Name2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C
InChIInChI=1S/C18H26O6/c1-8-18(9-22-15(19)12(2)3,10-23-16(20)13(4)5)11-24-17(21)14(6)7/h2,4,6,8-11H2,1,3,5,7H3
InChIKeyOKKRPWIIYQTPQF-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'}

Analyze 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate?
The IUPAC name of 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate (CID 18689) is 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate.
What is the SMILES notation for 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate?
The canonical SMILES for 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C.
What is the InChIKey of 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate?
The InChIKey is OKKRPWIIYQTPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O6/c1-8-18(9-22-15(19)12(2)3,10-23-16(20)13(4)5)11-24-17(21)14(6)7/h2,4,6,8-11H2,1,3,5,7H3.
What are the key properties of 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate?
2,2-bis(2-methylprop-2-enoyloxymethyl)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 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate is sourced from PubChem (CID 18689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).