[3-hydroxy-2-(2-methyl-3-phenylprop-2-enoyl)oxypropyl] 5-hydroxy-2-methylidenepentanoate

C19H24O6 — CID 89456993

IUPAC[3-hydroxy-2-(2-methyl-3-phenylprop-2-enoyl)oxypropyl] 5-hydroxy-2-methylidenepentanoate
SMILESC=C(CCCO)C(=O)OCC(CO)OC(=O)C(C)=Cc1ccccc1
InChIInChI=1S/C19H24O6/c1-14(7-6-10-20)18(22)24-13-17(12-21)25-19(23)15(2)11-16-8-4-3-5-9-16/h3-5,8-9,11,17,20-21H,1,6-7,10,12-13H2,2H3
InChIKeyMURXLXPTDHOEHM-UHFFFAOYSA-N
MW348.39 g/mol
LogP1.87
Rot. Bonds10

About [3-hydroxy-2-(2-methyl-3-phenylprop-2-enoyl)oxypropyl] 5-hydroxy-2-methylidenepentanoate

[3-hydroxy-2-(2-methyl-3-phenylprop-2-enoyl)oxypropyl] 5-hydroxy-2-methylidenepentanoate (PubChem CID 89456993) has the molecular formula C19H24O6 and a molecular weight of 348.39 g/mol. Its IUPAC name is [3-hydroxy-2-(2-methyl-3-phenylprop-2-enoyl)oxypropyl] 5-hydroxy-2-methylidenepentanoate.

Molecular Properties

Compound Name[3-hydroxy-2-(2-methyl-3-phenylprop-2-enoyl)oxypropyl] 5-hydroxy-2-methylidenepentanoate
PubChem CID89456993
Molecular FormulaC19H24O6
Molecular Weight348.39 g/mol
Exact Mass348.16
IUPAC Name[3-hydroxy-2-(2-methyl-3-phenylprop-2-enoyl)oxypropyl] 5-hydroxy-2-methylidenepentanoate
SMILESC=C(CCCO)C(=O)OCC(CO)OC(=O)C(C)=Cc1ccccc1
InChIInChI=1S/C19H24O6/c1-14(7-6-10-20)18(22)24-13-17(12-21)25-19(23)15(2)11-16-8-4-3-5-9-16/h3-5,8-9,11,17,20-21H,1,6-7,10,12-13H2,2H3
InChIKeyMURXLXPTDHOEHM-UHFFFAOYSA-N
XLogP1.87
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-hydroxy-2-(2-methyl-3-phenylprop-2-enoyl)oxypropyl] 5-hydroxy-2-methylidenepentanoate;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 89457385
2-hydroxypropyl 2-methyl-3-phenylprop-2-enoate
CID 175381325
octan-3-yl 2-methyl-3-phenylprop-2-enoate
CID 141377253
2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-3-phenylprop-2-enoate
CID 70124649
(2-hydroxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate
CID 54174138
ethane-1,2-diol;[3-hydroxy-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 22129264
2-methylidenehenicosanoic acid;2-methyl-3-phenylprop-2-enoic acid
CID 70268950
(1-hydroxy-3-phenoxypropan-2-yl) 2-methylprop-2-enoate;(2-hydroxy-3-phenoxypropyl) 2-methylprop-2-enoate
CID 160914554
bis[1-hydroxy-3-(2-methylprop-2-enoyloxy)propan-2-yl] 2,3-bis(ethenyl)naphthalene-1,4-dicarboxylate
CID 130395132
hexyl 2-methyl-3-phenylprop-2-enoate
CID 174586254
(5-hydroxy-2-methylidenepentanoyl) 3-benzyl-2-methylidene-5-phenylpent-4-enoate;2-methylprop-2-enoic acid
CID 87975407
3-hydroxypropyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;styrene
CID 67929040

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-2-(2-methyl-3-phenylprop-2-enoyl)oxypropyl] 5-hydroxy-2-methylidenepentanoate?
The IUPAC name of [3-hydroxy-2-(2-methyl-3-phenylprop-2-enoyl)oxypropyl] 5-hydroxy-2-methylidenepentanoate (CID 89456993) is [3-hydroxy-2-(2-methyl-3-phenylprop-2-enoyl)oxypropyl] 5-hydroxy-2-methylidenepentanoate.
What is the SMILES notation for [3-hydroxy-2-(2-methyl-3-phenylprop-2-enoyl)oxypropyl] 5-hydroxy-2-methylidenepentanoate?
The canonical SMILES for [3-hydroxy-2-(2-methyl-3-phenylprop-2-enoyl)oxypropyl] 5-hydroxy-2-methylidenepentanoate is C=C(CCCO)C(=O)OCC(CO)OC(=O)C(C)=Cc1ccccc1.
What is the InChIKey of [3-hydroxy-2-(2-methyl-3-phenylprop-2-enoyl)oxypropyl] 5-hydroxy-2-methylidenepentanoate?
The InChIKey is MURXLXPTDHOEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O6/c1-14(7-6-10-20)18(22)24-13-17(12-21)25-19(23)15(2)11-16-8-4-3-5-9-16/h3-5,8-9,11,17,20-21H,1,6-7,10,12-13H2,2H3.
What are the key properties of [3-hydroxy-2-(2-methyl-3-phenylprop-2-enoyl)oxypropyl] 5-hydroxy-2-methylidenepentanoate?
[3-hydroxy-2-(2-methyl-3-phenylprop-2-enoyl)oxypropyl] 5-hydroxy-2-methylidenepentanoate has a molecular weight of 348.39 g/mol, XLogP of 1.87, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-2-(2-methyl-3-phenylprop-2-enoyl)oxypropyl] 5-hydroxy-2-methylidenepentanoate is sourced from PubChem (CID 89456993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).