[3-(2-methylprop-2-enoyloxy)-2-[[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propoxy]methyl]-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate

C34H46O13 — CID 18410102

IUPAC[3-(2-methylprop-2-enoyloxy)-2-[[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propoxy]methyl]-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(COCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C
InChIInChI=1S/C34H46O13/c1-21(2)27(35)42-15-33(16-43-28(36)22(3)4,17-44-29(37)23(5)6)13-41-14-34(18-45-30(38)24(7)8,19-46-31(39)25(9)10)20-47-32(40)26(11)12/h1,3,5,7,9,11,13-20H2,2,4,6,8,10,12H3
InChIKeyLXLXJIUQMIKMGO-UHFFFAOYSA-N
MW662.73 g/mol
LogP3.69
Rot. Bonds22

About [3-(2-methylprop-2-enoyloxy)-2-[[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propoxy]methyl]-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate

[3-(2-methylprop-2-enoyloxy)-2-[[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propoxy]methyl]-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate (PubChem CID 18410102) has the molecular formula C34H46O13 and a molecular weight of 662.73 g/mol. Its IUPAC name is [3-(2-methylprop-2-enoyloxy)-2-[[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propoxy]methyl]-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-(2-methylprop-2-enoyloxy)-2-[[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propoxy]methyl]-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate
PubChem CID18410102
Molecular FormulaC34H46O13
Molecular Weight662.73 g/mol
Exact Mass662.29
IUPAC Name[3-(2-methylprop-2-enoyloxy)-2-[[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propoxy]methyl]-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(COCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C
InChIInChI=1S/C34H46O13/c1-21(2)27(35)42-15-33(16-43-28(36)22(3)4,17-44-29(37)23(5)6)13-41-14-34(18-45-30(38)24(7)8,19-46-31(39)25(9)10)20-47-32(40)26(11)12/h1,3,5,7,9,11,13-20H2,2,4,6,8,10,12H3
InChIKeyLXLXJIUQMIKMGO-UHFFFAOYSA-N
XLogP3.69
TPSA167.03 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds22
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.73
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze [3-(2-methylprop-2-enoyloxy)-2-[[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propoxy]methyl]-2-(2-methylprop-2-enoyloxymethyl)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 [3-(2-methylprop-2-enoyloxy)-2-[[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propoxy]methyl]-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate?
The IUPAC name of [3-(2-methylprop-2-enoyloxy)-2-[[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propoxy]methyl]-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate (CID 18410102) is [3-(2-methylprop-2-enoyloxy)-2-[[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propoxy]methyl]-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-(2-methylprop-2-enoyloxy)-2-[[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propoxy]methyl]-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-(2-methylprop-2-enoyloxy)-2-[[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propoxy]methyl]-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(COCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C.
What is the InChIKey of [3-(2-methylprop-2-enoyloxy)-2-[[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propoxy]methyl]-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate?
The InChIKey is LXLXJIUQMIKMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46O13/c1-21(2)27(35)42-15-33(16-43-28(36)22(3)4,17-44-29(37)23(5)6)13-41-14-34(18-45-30(38)24(7)8,19-46-31(39)25(9)10)20-47-32(40)26(11)12/h1,3,5,7,9,11,13-20H2,2,4,6,8,10,12H3.
What are the key properties of [3-(2-methylprop-2-enoyloxy)-2-[[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propoxy]methyl]-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate?
[3-(2-methylprop-2-enoyloxy)-2-[[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propoxy]methyl]-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate has a molecular weight of 662.73 g/mol, XLogP of 3.69, 22 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylprop-2-enoyloxy)-2-[[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propoxy]methyl]-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 18410102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).