2-(2-methyl-2-prop-2-enoyloxypropanoyl)oxyethyl 2-methyl-2-prop-2-enoyloxypropanoate

C16H22O8 — CID 141069270

IUPAC2-(2-methyl-2-prop-2-enoyloxypropanoyl)oxyethyl 2-methyl-2-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OC(C)(C)C(=O)OCCOC(=O)C(C)(C)OC(=O)C=C
InChIInChI=1S/C16H22O8/c1-7-11(17)23-15(3,4)13(19)21-9-10-22-14(20)16(5,6)24-12(18)8-2/h7-8H,1-2,9-10H2,3-6H3
InChIKeyAIHXOTUYUGMEGQ-UHFFFAOYSA-N
MW342.34 g/mol
LogP1.09
Rot. Bonds9

About 2-(2-methyl-2-prop-2-enoyloxypropanoyl)oxyethyl 2-methyl-2-prop-2-enoyloxypropanoate

2-(2-methyl-2-prop-2-enoyloxypropanoyl)oxyethyl 2-methyl-2-prop-2-enoyloxypropanoate (PubChem CID 141069270) has the molecular formula C16H22O8 and a molecular weight of 342.34 g/mol. Its IUPAC name is 2-(2-methyl-2-prop-2-enoyloxypropanoyl)oxyethyl 2-methyl-2-prop-2-enoyloxypropanoate.

Molecular Properties

Compound Name2-(2-methyl-2-prop-2-enoyloxypropanoyl)oxyethyl 2-methyl-2-prop-2-enoyloxypropanoate
PubChem CID141069270
Molecular FormulaC16H22O8
Molecular Weight342.34 g/mol
Exact Mass342.13
IUPAC Name2-(2-methyl-2-prop-2-enoyloxypropanoyl)oxyethyl 2-methyl-2-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OC(C)(C)C(=O)OCCOC(=O)C(C)(C)OC(=O)C=C
InChIInChI=1S/C16H22O8/c1-7-11(17)23-15(3,4)13(19)21-9-10-22-14(20)16(5,6)24-12(18)8-2/h7-8H,1-2,9-10H2,3-6H3
InChIKeyAIHXOTUYUGMEGQ-UHFFFAOYSA-N
XLogP1.09
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

(4-amino-2,3,3-trimethylbutan-2-yl) prop-2-enoate
CID 88722252
4-hydroxybutyl 2,2-di(prop-2-enoyloxy)propanoate
CID 20510116
tert-butyl prop-2-enoate
CID 158231977
2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate
CID 141152964
(3-methyl-3-prop-2-enoyloxybutyl) prop-2-enoate
CID 19428987
2,3,3-trimethylpentan-2-yl prop-2-enoate
CID 129167601
ethyl 2-hydroxy-2-prop-2-enoyloxypropanoate
CID 90238503
2-hydroxypropan-2-yl prop-2-enoate
CID 22726323
tert-butyl prop-2-enoate;methanol
CID 174833528
tert-butyl prop-2-enoate;carbamic acid
CID 162149452
azane;1,1-diaminoethyl prop-2-enoate;hydrochloride
CID 175516983
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2-prop-2-enoyloxypropanoyl)oxyethyl 2-methyl-2-prop-2-enoyloxypropanoate?
The IUPAC name of 2-(2-methyl-2-prop-2-enoyloxypropanoyl)oxyethyl 2-methyl-2-prop-2-enoyloxypropanoate (CID 141069270) is 2-(2-methyl-2-prop-2-enoyloxypropanoyl)oxyethyl 2-methyl-2-prop-2-enoyloxypropanoate.
What is the SMILES notation for 2-(2-methyl-2-prop-2-enoyloxypropanoyl)oxyethyl 2-methyl-2-prop-2-enoyloxypropanoate?
The canonical SMILES for 2-(2-methyl-2-prop-2-enoyloxypropanoyl)oxyethyl 2-methyl-2-prop-2-enoyloxypropanoate is C=CC(=O)OC(C)(C)C(=O)OCCOC(=O)C(C)(C)OC(=O)C=C.
What is the InChIKey of 2-(2-methyl-2-prop-2-enoyloxypropanoyl)oxyethyl 2-methyl-2-prop-2-enoyloxypropanoate?
The InChIKey is AIHXOTUYUGMEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O8/c1-7-11(17)23-15(3,4)13(19)21-9-10-22-14(20)16(5,6)24-12(18)8-2/h7-8H,1-2,9-10H2,3-6H3.
What are the key properties of 2-(2-methyl-2-prop-2-enoyloxypropanoyl)oxyethyl 2-methyl-2-prop-2-enoyloxypropanoate?
2-(2-methyl-2-prop-2-enoyloxypropanoyl)oxyethyl 2-methyl-2-prop-2-enoyloxypropanoate has a molecular weight of 342.34 g/mol, XLogP of 1.09, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2-prop-2-enoyloxypropanoyl)oxyethyl 2-methyl-2-prop-2-enoyloxypropanoate is sourced from PubChem (CID 141069270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).