(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate

C11H16O4 — CID 16680

IUPAC(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate
SMILESC=CC(=O)OCC(C)(C)COC(=O)C=C
InChIInChI=1S/C11H16O4/c1-5-9(12)14-7-11(3,4)8-15-10(13)6-2/h5-6H,1-2,7-8H2,3-4H3
InChIKeyMXFQRSUWYYSPOC-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.47
Rot. Bonds6

About (2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate

(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate (PubChem CID 16680) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is (2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate.

Molecular Properties

Compound Name(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate
PubChem CID16680
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate
SMILESC=CC(=O)OCC(C)(C)COC(=O)C=C
InChIInChI=1S/C11H16O4/c1-5-9(12)14-7-11(3,4)8-15-10(13)6-2/h5-6H,1-2,7-8H2,3-4H3
InChIKeyMXFQRSUWYYSPOC-UHFFFAOYSA-N
XLogP1.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylbutyl prop-2-enoate;methanediol
CID 143956030
boranuide;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 161197836
(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate;2-methylprop-2-enyl prop-2-enoate;tetrafluoromethane
CID 54085907
ethane-1,2-diamine;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 131736476
(2-hydroxy-2-methyl-3-oxopent-4-enyl) prop-2-enoate
CID 174578379
[2,2-bis(hydroxymethyl)-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 159645135
(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) prop-2-enoate
CID 58173753
bis[2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] heptanedioate
CID 170682322
2,2,2-tri(prop-2-enoyloxy)ethyl prop-2-enoate
CID 19981602
(2-amino-2-ethylbutyl) prop-2-enoate
CID 57112910
2,2-bis(prop-2-enoyloxymethyl)butyl 2,2-dimethyl-3-prop-2-enoyloxypropanoate
CID 90842874
bis[2,2-bis(prop-2-enoyloxymethyl)butyl] (E)-hex-3-enedioate
CID 170682315

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate?
The IUPAC name of (2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate (CID 16680) is (2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate.
What is the SMILES notation for (2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate?
The canonical SMILES for (2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate is C=CC(=O)OCC(C)(C)COC(=O)C=C.
What is the InChIKey of (2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate?
The InChIKey is MXFQRSUWYYSPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-5-9(12)14-7-11(3,4)8-15-10(13)6-2/h5-6H,1-2,7-8H2,3-4H3.
What are the key properties of (2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate?
(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate has a molecular weight of 212.24 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate is sourced from PubChem (CID 16680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).