2-[2-[2-(2-hydroxyacetyl)oxyacetyl]oxyacetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(2-hydroxyacetyl)oxyacetyl]oxyethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate

C58H96O30 — CID 159200166

IUPAC2-[2-[2-(2-hydroxyacetyl)oxyacetyl]oxyacetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(2-hydroxyacetyl)oxyacetyl]oxyethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate
SMILESC=C(C)C(=O)OCCOC(=O)CCCCCO.C=C(C)C(=O)OCCOC(=O)COC(=O)CO.C=C(C)C(=O)OCCOC(=O)COC(=O)COC(=O)CO.C=C(C)C(=O)OCCOCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)O
InChIInChI=1S/C24H46O9.C12H16O9.C12H20O5.C10H14O7/c1-17(2)24(26)28-10-9-27-12-19(4)30-14-21(6)32-16-23(8)33-15-22(7)31-13-20(5)29-11-18(3)25;1-8(2)12(17)19-4-3-18-10(15)6-21-11(16)7-20-9(14)5-13;1-10(2)12(15)17-9-8-16-11(14)6-4-3-5-7-13;1-7(2)10(14)16-4-3-15-9(13)6-17-8(12)5-11/h18-23,25H,1,9-16H2,2-8H3;13H,1,3-7H2,2H3;13H,1,3-9H2,2H3;11H,1,3-6H2,2H3
InChIKeyKPEKWZKUINOUFP-UHFFFAOYSA-N
MW1273.38 g/mol
LogP1.64
Rot. Bonds46

About 2-[2-[2-(2-hydroxyacetyl)oxyacetyl]oxyacetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(2-hydroxyacetyl)oxyacetyl]oxyethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate

2-[2-[2-(2-hydroxyacetyl)oxyacetyl]oxyacetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(2-hydroxyacetyl)oxyacetyl]oxyethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate (PubChem CID 159200166) has the molecular formula C58H96O30 and a molecular weight of 1273.38 g/mol. Its IUPAC name is 2-[2-[2-(2-hydroxyacetyl)oxyacetyl]oxyacetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(2-hydroxyacetyl)oxyacetyl]oxyethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate.

Molecular Properties

Compound Name2-[2-[2-(2-hydroxyacetyl)oxyacetyl]oxyacetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(2-hydroxyacetyl)oxyacetyl]oxyethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate
PubChem CID159200166
Molecular FormulaC58H96O30
Molecular Weight1273.38 g/mol
Exact Mass1272.60
IUPAC Name2-[2-[2-(2-hydroxyacetyl)oxyacetyl]oxyacetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(2-hydroxyacetyl)oxyacetyl]oxyethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate
SMILESC=C(C)C(=O)OCCOC(=O)CCCCCO.C=C(C)C(=O)OCCOC(=O)COC(=O)CO.C=C(C)C(=O)OCCOC(=O)COC(=O)COC(=O)CO.C=C(C)C(=O)OCCOCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)O
InChIInChI=1S/C24H46O9.C12H16O9.C12H20O5.C10H14O7/c1-17(2)24(26)28-10-9-27-12-19(4)30-14-21(6)32-16-23(8)33-15-22(7)31-13-20(5)29-11-18(3)25;1-8(2)12(17)19-4-3-18-10(15)6-21-11(16)7-20-9(14)5-13;1-10(2)12(15)17-9-8-16-11(14)6-4-3-5-7-13;1-7(2)10(14)16-4-3-15-9(13)6-17-8(12)5-11/h18-23,25H,1,9-16H2,2-8H3;13H,1,3-7H2,2H3;13H,1,3-9H2,2H3;11H,1,3-6H2,2H3
InChIKeyKPEKWZKUINOUFP-UHFFFAOYSA-N
XLogP1.64
TPSA399.30 Ų
H-Bond Donors4
H-Bond Acceptors30
Rotatable Bonds46
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001273.38
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1030

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'}

Analyze 2-[2-[2-(2-hydroxyacetyl)oxyacetyl]oxyacetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(2-hydroxyacetyl)oxyacetyl]oxyethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate with MolForge

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Related Compounds

2-(2-methylprop-2-enoyloxy)ethyl 8-hydroxyoctanoate
CID 141150360
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 22023985
2-[2-[2-(2-hydroxyacetyl)oxyacetyl]oxyacetyl]oxyethyl 2-methylprop-2-enoate
CID 58165702
butane-1,4-diol;2-hydroxypropyl 2-methylprop-2-enoate
CID 87278867
methane;2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate;2-prop-2-enoyloxyethyl 6-hydroxyhexanoate
CID 161182870
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]propoxy]ethyl 2-methylprop-2-enoate;bis(prop-1-ene)
CID 87981100
2-(2-methoxypropoxy)ethyl 2-methylprop-2-enoate
CID 20625798
2-(2-methylprop-2-enoyloxy)ethyl docosanoate
CID 135130314
6-oxohexyl 6-[6-[6-[2-(2-methylprop-2-enoyloxy)ethylperoxy]hexanoyloxy]hexanoyloxy]hexanoate
CID 88981162
3-methylbutyl 6-(2-methylprop-2-enoyloxy)hexanoate
CID 134453301
2-(2-methoxypropoxy)ethyl 2-methylprop-2-enoate;2-[2-(2-methylprop-2-enoyloxy)propoxy]ethyl 2-methylprop-2-enoate
CID 91261789
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(2-methylprop-2-enoic acid)
CID 173326767

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-hydroxyacetyl)oxyacetyl]oxyacetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(2-hydroxyacetyl)oxyacetyl]oxyethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate?
The IUPAC name of 2-[2-[2-(2-hydroxyacetyl)oxyacetyl]oxyacetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(2-hydroxyacetyl)oxyacetyl]oxyethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate (CID 159200166) is 2-[2-[2-(2-hydroxyacetyl)oxyacetyl]oxyacetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(2-hydroxyacetyl)oxyacetyl]oxyethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate.
What is the SMILES notation for 2-[2-[2-(2-hydroxyacetyl)oxyacetyl]oxyacetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(2-hydroxyacetyl)oxyacetyl]oxyethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate?
The canonical SMILES for 2-[2-[2-(2-hydroxyacetyl)oxyacetyl]oxyacetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(2-hydroxyacetyl)oxyacetyl]oxyethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate is C=C(C)C(=O)OCCOC(=O)CCCCCO.C=C(C)C(=O)OCCOC(=O)COC(=O)CO.C=C(C)C(=O)OCCOC(=O)COC(=O)COC(=O)CO.C=C(C)C(=O)OCCOCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)O.
What is the InChIKey of 2-[2-[2-(2-hydroxyacetyl)oxyacetyl]oxyacetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(2-hydroxyacetyl)oxyacetyl]oxyethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate?
The InChIKey is KPEKWZKUINOUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O9.C12H16O9.C12H20O5.C10H14O7/c1-17(2)24(26)28-10-9-27-12-19(4)30-14-21(6)32-16-23(8)33-15-22(7)31-13-20(5)29-11-18(3)25;1-8(2)12(17)19-4-3-18-10(15)6-21-11(16)7-20-9(14)5-13;1-10(2)12(15)17-9-8-16-11(14)6-4-3-5-7-13;1-7(2)10(14)16-4-3-15-9(13)6-17-8(12)5-11/h18-23,25H,1,9-16H2,2-8H3;13H,1,3-7H2,2H3;13H,1,3-9H2,2H3;11H,1,3-6H2,2H3.
What are the key properties of 2-[2-[2-(2-hydroxyacetyl)oxyacetyl]oxyacetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(2-hydroxyacetyl)oxyacetyl]oxyethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate?
2-[2-[2-(2-hydroxyacetyl)oxyacetyl]oxyacetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(2-hydroxyacetyl)oxyacetyl]oxyethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate has a molecular weight of 1273.38 g/mol, XLogP of 1.64, 46 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-hydroxyacetyl)oxyacetyl]oxyacetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(2-hydroxyacetyl)oxyacetyl]oxyethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate is sourced from PubChem (CID 159200166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).