[2-hydroxy-3-[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]butoxy]propyl] 2,2-dimethylpropanoate

C19H34O8 — CID 123927218

IUPAC[2-hydroxy-3-[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]butoxy]propyl] 2,2-dimethylpropanoate
SMILESC=C(C)C(=O)OCC(O)COCCCCOCC(O)COC(=O)C(C)(C)C
InChIInChI=1S/C19H34O8/c1-14(2)17(22)26-12-15(20)10-24-8-6-7-9-25-11-16(21)13-27-18(23)19(3,4)5/h15-16,20-21H,1,6-13H2,2-5H3
InChIKeyOREYQUPXHIOEKY-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.23
Rot. Bonds14

About [2-hydroxy-3-[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]butoxy]propyl] 2,2-dimethylpropanoate

[2-hydroxy-3-[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]butoxy]propyl] 2,2-dimethylpropanoate (PubChem CID 123927218) has the molecular formula C19H34O8 and a molecular weight of 390.47 g/mol. Its IUPAC name is [2-hydroxy-3-[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]butoxy]propyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[2-hydroxy-3-[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]butoxy]propyl] 2,2-dimethylpropanoate
PubChem CID123927218
Molecular FormulaC19H34O8
Molecular Weight390.47 g/mol
Exact Mass390.23
IUPAC Name[2-hydroxy-3-[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]butoxy]propyl] 2,2-dimethylpropanoate
SMILESC=C(C)C(=O)OCC(O)COCCCCOCC(O)COC(=O)C(C)(C)C
InChIInChI=1S/C19H34O8/c1-14(2)17(22)26-12-15(20)10-24-8-6-7-9-25-11-16(21)13-27-18(23)19(3,4)5/h15-16,20-21H,1,6-13H2,2-5H3
InChIKeyOREYQUPXHIOEKY-UHFFFAOYSA-N
XLogP1.23
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[2-hydroxy-3-[2-[2-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]ethoxy]ethoxy]propyl] 2-methylprop-2-enoate
CID 12800792
[2-hydroxy-3-[3-[3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]propylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate
CID 154406838
[2-hydroxy-3-[3-(1-hydroxy-3-methyl-2-oxobut-3-enoxy)propoxy]propyl] 2-methylprop-2-enoate
CID 122548998
[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-amino-2-methylbutanoate
CID 146532690
[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-[3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]-3-oxoprop-1-en-2-yl]oxy-2-methylpropanoate
CID 146474080
(2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate
CID 15315335
hexane-1,6-diol;[2-hydroxy-3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]propyl] 2-methylprop-2-enoate
CID 87523431
[2-hydroxy-3-[3-[methyl-(2-methylprop-2-enoyloxy)-trimethylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate
CID 140749715
[3-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl] 2-methylprop-2-enoate
CID 23527263
[3-[3-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propoxy]-2-hydroxypropyl] 2-methylprop-2-enoate
CID 59558928
[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2,4,4-trimethyl-2-methylphosphanylpentanoate
CID 167150331
[3,3-dibromo-2-[[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]methyl]propyl] 2-methylprop-2-enoate
CID 88638317

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]butoxy]propyl] 2,2-dimethylpropanoate?
The IUPAC name of [2-hydroxy-3-[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]butoxy]propyl] 2,2-dimethylpropanoate (CID 123927218) is [2-hydroxy-3-[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]butoxy]propyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [2-hydroxy-3-[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]butoxy]propyl] 2,2-dimethylpropanoate?
The canonical SMILES for [2-hydroxy-3-[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]butoxy]propyl] 2,2-dimethylpropanoate is C=C(C)C(=O)OCC(O)COCCCCOCC(O)COC(=O)C(C)(C)C.
What is the InChIKey of [2-hydroxy-3-[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]butoxy]propyl] 2,2-dimethylpropanoate?
The InChIKey is OREYQUPXHIOEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O8/c1-14(2)17(22)26-12-15(20)10-24-8-6-7-9-25-11-16(21)13-27-18(23)19(3,4)5/h15-16,20-21H,1,6-13H2,2-5H3.
What are the key properties of [2-hydroxy-3-[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]butoxy]propyl] 2,2-dimethylpropanoate?
[2-hydroxy-3-[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]butoxy]propyl] 2,2-dimethylpropanoate has a molecular weight of 390.47 g/mol, XLogP of 1.23, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]butoxy]propyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 123927218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).