2-(2-ethoxycarbonyloxypropan-2-yloxy)propan-2-yl 2-methylprop-2-enoate

C13H22O6 — CID 174325066

IUPAC2-(2-ethoxycarbonyloxypropan-2-yloxy)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)OC(C)(C)OC(=O)OCC
InChIInChI=1S/C13H22O6/c1-8-16-11(15)18-13(6,7)19-12(4,5)17-10(14)9(2)3/h2,8H2,1,3-7H3
InChIKeyKDJRUNDPHFEYEA-UHFFFAOYSA-N
MW274.31 g/mol
LogP2.77
Rot. Bonds6

About 2-(2-ethoxycarbonyloxypropan-2-yloxy)propan-2-yl 2-methylprop-2-enoate

2-(2-ethoxycarbonyloxypropan-2-yloxy)propan-2-yl 2-methylprop-2-enoate (PubChem CID 174325066) has the molecular formula C13H22O6 and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-(2-ethoxycarbonyloxypropan-2-yloxy)propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2-ethoxycarbonyloxypropan-2-yloxy)propan-2-yl 2-methylprop-2-enoate
PubChem CID174325066
Molecular FormulaC13H22O6
Molecular Weight274.31 g/mol
Exact Mass274.14
IUPAC Name2-(2-ethoxycarbonyloxypropan-2-yloxy)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)OC(C)(C)OC(=O)OCC
InChIInChI=1S/C13H22O6/c1-8-16-11(15)18-13(6,7)19-12(4,5)17-10(14)9(2)3/h2,8H2,1,3-7H3
InChIKeyKDJRUNDPHFEYEA-UHFFFAOYSA-N
XLogP2.77
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-methyl-3-(2-methylprop-2-enoyloxy)butanoate
CID 138654943
ethyl 2-methylprop-2-enoate
CID 130475774
(1-ethoxy-2-methylpropan-2-yl) 2-methylprop-2-enoate
CID 20643876
ethyl 2-methylprop-2-enoate;methane
CID 159235789
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
2-methyltriacontan-2-yl 2-methylprop-2-enoate
CID 21364873
sodium;ethyl 2-methylprop-2-enoate;hydride
CID 173442862
cyanic acid;ethyl 2-methylprop-2-enoate
CID 172737974
1,1-dihydroxyethyl 2-methylprop-2-enoate
CID 54314895
2-ethoxybutan-2-yl 2-methylprop-2-enoate
CID 175455949

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxycarbonyloxypropan-2-yloxy)propan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 2-(2-ethoxycarbonyloxypropan-2-yloxy)propan-2-yl 2-methylprop-2-enoate (CID 174325066) is 2-(2-ethoxycarbonyloxypropan-2-yloxy)propan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2-ethoxycarbonyloxypropan-2-yloxy)propan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2-ethoxycarbonyloxypropan-2-yloxy)propan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)OC(C)(C)OC(=O)OCC.
What is the InChIKey of 2-(2-ethoxycarbonyloxypropan-2-yloxy)propan-2-yl 2-methylprop-2-enoate?
The InChIKey is KDJRUNDPHFEYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O6/c1-8-16-11(15)18-13(6,7)19-12(4,5)17-10(14)9(2)3/h2,8H2,1,3-7H3.
What are the key properties of 2-(2-ethoxycarbonyloxypropan-2-yloxy)propan-2-yl 2-methylprop-2-enoate?
2-(2-ethoxycarbonyloxypropan-2-yloxy)propan-2-yl 2-methylprop-2-enoate has a molecular weight of 274.31 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxycarbonyloxypropan-2-yloxy)propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 174325066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).