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

C15H20O6 — CID 27423

IUPAC2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate
SMILESC=CC(=O)OCC(CC)(COC(=O)C=C)COC(=O)C=C
InChIInChI=1S/C15H20O6/c1-5-12(16)19-9-15(8-4,10-20-13(17)6-2)11-21-14(18)7-3/h5-7H,1-3,8-11H2,4H3
InChIKeyDAKWPKUUDNSNPN-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.57
Rot. Bonds10

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

2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate (PubChem CID 27423) has the molecular formula C15H20O6 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate.

Molecular Properties

Compound Name2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate
PubChem CID27423
Molecular FormulaC15H20O6
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate
SMILESC=CC(=O)OCC(CC)(COC(=O)C=C)COC(=O)C=C
InChIInChI=1S/C15H20O6/c1-5-12(16)19-9-15(8-4,10-20-13(17)6-2)11-21-14(18)7-3/h5-7H,1-3,8-11H2,4H3
InChIKeyDAKWPKUUDNSNPN-UHFFFAOYSA-N
XLogP1.57
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.57
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

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CID 18689
Pentaerythritol tetraacrylate
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CID 115157
2-Methylbutyl acrylate
CID 162070
2-Propenoic acid, (5-ethyl-1,3-dioxan-5-yl)methyl ester
CID 171789
Ditrimethylolpropane tetraacrylate
CID 175585
Neopentyl acrylate
CID 98887
Isopentyl acrylate
CID 77920
2-Propenoic acid, 1,1'-(2-methyl-2-(((1-oxo-2-propen-1-yl)oxy)methyl)-1,3-propanediyl) ester
CID 88240
2-Propenoic acid, 1,1'-((2-ethyl-2-((1-oxo-3-((1-oxo-2-propen-1-yl)oxy)propoxy)methyl)-1,3-propanediyl)bis(oxy(3-oxo-3,1-propanediyl))) ester
CID 3086211
poly(acrylic acid) partial sodium salt
CID 156594549

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate?
The IUPAC name of 2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate (CID 27423) is 2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate.
What is the SMILES notation for 2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate?
The canonical SMILES for 2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate is C=CC(=O)OCC(CC)(COC(=O)C=C)COC(=O)C=C.
What is the InChIKey of 2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate?
The InChIKey is DAKWPKUUDNSNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O6/c1-5-12(16)19-9-15(8-4,10-20-13(17)6-2)11-21-14(18)7-3/h5-7H,1-3,8-11H2,4H3.
What are the key properties of 2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate?
2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate has a molecular weight of 296.32 g/mol, XLogP of 1.57, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate is sourced from PubChem (CID 27423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).