2-[3,3-bis[2-(2-methylprop-2-enoyloxy)ethoxymethyl]pentoxy]ethyl 2-methylprop-2-enoate

C25H40O9 — CID 20872982

IUPAC2-[3,3-bis[2-(2-methylprop-2-enoyloxy)ethoxymethyl]pentoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCC(CC)(COCCOC(=O)C(=C)C)COCCOC(=O)C(=C)C
InChIInChI=1S/C25H40O9/c1-8-25(17-30-12-15-33-23(27)20(4)5,18-31-13-16-34-24(28)21(6)7)9-10-29-11-14-32-22(26)19(2)3/h2,4,6,8-18H2,1,3,5,7H3
InChIKeyYNDPRDUCQCJYBH-UHFFFAOYSA-N
MW484.59 g/mol
LogP3.18
Rot. Bonds20

About 2-[3,3-bis[2-(2-methylprop-2-enoyloxy)ethoxymethyl]pentoxy]ethyl 2-methylprop-2-enoate

2-[3,3-bis[2-(2-methylprop-2-enoyloxy)ethoxymethyl]pentoxy]ethyl 2-methylprop-2-enoate (PubChem CID 20872982) has the molecular formula C25H40O9 and a molecular weight of 484.59 g/mol. Its IUPAC name is 2-[3,3-bis[2-(2-methylprop-2-enoyloxy)ethoxymethyl]pentoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[3,3-bis[2-(2-methylprop-2-enoyloxy)ethoxymethyl]pentoxy]ethyl 2-methylprop-2-enoate
PubChem CID20872982
Molecular FormulaC25H40O9
Molecular Weight484.59 g/mol
Exact Mass484.27
IUPAC Name2-[3,3-bis[2-(2-methylprop-2-enoyloxy)ethoxymethyl]pentoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCC(CC)(COCCOC(=O)C(=C)C)COCCOC(=O)C(=C)C
InChIInChI=1S/C25H40O9/c1-8-25(17-30-12-15-33-23(27)20(4)5,18-31-13-16-34-24(28)21(6)7)9-10-29-11-14-32-22(26)19(2)3/h2,4,6,8-18H2,1,3,5,7H3
InChIKeyYNDPRDUCQCJYBH-UHFFFAOYSA-N
XLogP3.18
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.59
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[3,3-bis[2-(2-methylprop-2-enoyloxy)ethoxymethyl]pentoxy]ethyl 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-[3,3-bis[2-(2-methylprop-2-enoyloxy)ethoxymethyl]pentoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[3,3-bis[2-(2-methylprop-2-enoyloxy)ethoxymethyl]pentoxy]ethyl 2-methylprop-2-enoate (CID 20872982) is 2-[3,3-bis[2-(2-methylprop-2-enoyloxy)ethoxymethyl]pentoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[3,3-bis[2-(2-methylprop-2-enoyloxy)ethoxymethyl]pentoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[3,3-bis[2-(2-methylprop-2-enoyloxy)ethoxymethyl]pentoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCC(CC)(COCCOC(=O)C(=C)C)COCCOC(=O)C(=C)C.
What is the InChIKey of 2-[3,3-bis[2-(2-methylprop-2-enoyloxy)ethoxymethyl]pentoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is YNDPRDUCQCJYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40O9/c1-8-25(17-30-12-15-33-23(27)20(4)5,18-31-13-16-34-24(28)21(6)7)9-10-29-11-14-32-22(26)19(2)3/h2,4,6,8-18H2,1,3,5,7H3.
What are the key properties of 2-[3,3-bis[2-(2-methylprop-2-enoyloxy)ethoxymethyl]pentoxy]ethyl 2-methylprop-2-enoate?
2-[3,3-bis[2-(2-methylprop-2-enoyloxy)ethoxymethyl]pentoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 484.59 g/mol, XLogP of 3.18, 20 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-bis[2-(2-methylprop-2-enoyloxy)ethoxymethyl]pentoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 20872982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).