1,3-di(prop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate

C13H16O6 — CID 57056208

IUPAC1,3-di(prop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate
SMILESC=CC(=O)OCC(COC(=O)C=C)OC(=O)C(=C)C
InChIInChI=1S/C13H16O6/c1-5-11(14)17-7-10(8-18-12(15)6-2)19-13(16)9(3)4/h5-6,10H,1-3,7-8H2,4H3
InChIKeyMDNDHRBMKKYWSO-UHFFFAOYSA-N
MW268.26 g/mol
LogP0.93
Rot. Bonds8

About 1,3-di(prop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate

1,3-di(prop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate (PubChem CID 57056208) has the molecular formula C13H16O6 and a molecular weight of 268.26 g/mol. Its IUPAC name is 1,3-di(prop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1,3-di(prop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate
PubChem CID57056208
Molecular FormulaC13H16O6
Molecular Weight268.26 g/mol
Exact Mass268.09
IUPAC Name1,3-di(prop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate
SMILESC=CC(=O)OCC(COC(=O)C=C)OC(=O)C(=C)C
InChIInChI=1S/C13H16O6/c1-5-11(14)17-7-10(8-18-12(15)6-2)19-13(16)9(3)4/h5-6,10H,1-3,7-8H2,4H3
InChIKeyMDNDHRBMKKYWSO-UHFFFAOYSA-N
XLogP0.93
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 50.93
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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Related Compounds

[3-hydroxy-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;(3-hydroxy-2-prop-2-enoyloxypropyl) prop-2-enoate
CID 159044729
(Z)-4-[2,3-bis(2-methylprop-2-enoyloxy)propoxy]-4-oxobut-2-enoic acid
CID 87307378
1-prop-2-enoyloxyhexan-3-yl 2-methylprop-2-enoate
CID 57217151
[2-(3-oxobutanoyloxy)-3-prop-2-enoyloxypropyl] 3-oxobutanoate
CID 22505843
(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;methane;prop-2-enamide
CID 160685557
butyl 2-methylprop-2-enoate;2-ethylbutyl prop-2-enoate
CID 88771560
1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl 2-methyl-3-oxo-3-(3-prop-2-enoyloxypropylamino)propanoate
CID 88955036
methyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate
CID 174883570
[dimethyl(prop-2-enoyloxymethyl)silyl]methyl 2-methylprop-2-enoate
CID 150664135
2-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonyl]prop-2-enoic acid
CID 54328343
ethane-1,2-diol;[3-hydroxy-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 22129264
2,3-di(propanoyloxy)propyl propanoate;2,3-di(prop-2-enoyloxy)propyl prop-2-enoate
CID 160690637

Frequently Asked Questions

What is the IUPAC name of 1,3-di(prop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 1,3-di(prop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate (CID 57056208) is 1,3-di(prop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 1,3-di(prop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 1,3-di(prop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate is C=CC(=O)OCC(COC(=O)C=C)OC(=O)C(=C)C.
What is the InChIKey of 1,3-di(prop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate?
The InChIKey is MDNDHRBMKKYWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O6/c1-5-11(14)17-7-10(8-18-12(15)6-2)19-13(16)9(3)4/h5-6,10H,1-3,7-8H2,4H3.
What are the key properties of 1,3-di(prop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate?
1,3-di(prop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate has a molecular weight of 268.26 g/mol, XLogP of 0.93, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(prop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 57056208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).