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

C15H20O6 — CID 53435526

IUPAC1,1-bis(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)(OC(=O)C(=C)C)OC(=O)C(=C)C
InChIInChI=1S/C15H20O6/c1-8-15(19-12(16)9(2)3,20-13(17)10(4)5)21-14(18)11(6)7/h2,4,6,8H2,1,3,5,7H3
InChIKeyHGDULKQRXBSKHL-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.41
Rot. Bonds7

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

1,1-bis(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate (PubChem CID 53435526) has the molecular formula C15H20O6 and a molecular weight of 296.32 g/mol. Its IUPAC name is 1,1-bis(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1,1-bis(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate
PubChem CID53435526
Molecular FormulaC15H20O6
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name1,1-bis(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)(OC(=O)C(=C)C)OC(=O)C(=C)C
InChIInChI=1S/C15H20O6/c1-8-15(19-12(16)9(2)3,20-13(17)10(4)5)21-14(18)11(6)7/h2,4,6,8H2,1,3,5,7H3
InChIKeyHGDULKQRXBSKHL-UHFFFAOYSA-N
XLogP2.41
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.41
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'}

Analyze 1,1-bis(2-methylprop-2-enoyloxy)propyl 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 1,1-bis(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate?
The IUPAC name of 1,1-bis(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate (CID 53435526) is 1,1-bis(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 1,1-bis(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate?
The canonical SMILES for 1,1-bis(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(CC)(OC(=O)C(=C)C)OC(=O)C(=C)C.
What is the InChIKey of 1,1-bis(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate?
The InChIKey is HGDULKQRXBSKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O6/c1-8-15(19-12(16)9(2)3,20-13(17)10(4)5)21-14(18)11(6)7/h2,4,6,8H2,1,3,5,7H3.
What are the key properties of 1,1-bis(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate?
1,1-bis(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate has a molecular weight of 296.32 g/mol, XLogP of 2.41, 7 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)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 53435526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).