[3-[2-(3-but-2-enoyloxy-2-hydroxypropoxy)propoxy]-2-hydroxypropyl] but-2-enoate

C17H28O8 — CID 57016546

IUPAC[3-[2-(3-but-2-enoyloxy-2-hydroxypropoxy)propoxy]-2-hydroxypropyl] but-2-enoate
SMILESCC=CC(=O)OCC(O)COCC(C)OCC(O)COC(=O)C=CC
InChIInChI=1S/C17H28O8/c1-4-6-16(20)24-11-14(18)9-22-8-13(3)23-10-15(19)12-25-17(21)7-5-2/h4-7,13-15,18-19H,8-12H2,1-3H3
InChIKeyIBBWSODYFSKCIJ-UHFFFAOYSA-N
MW360.40 g/mol
LogP0.37
Rot. Bonds13

About [3-[2-(3-but-2-enoyloxy-2-hydroxypropoxy)propoxy]-2-hydroxypropyl] but-2-enoate

[3-[2-(3-but-2-enoyloxy-2-hydroxypropoxy)propoxy]-2-hydroxypropyl] but-2-enoate (PubChem CID 57016546) has the molecular formula C17H28O8 and a molecular weight of 360.40 g/mol. Its IUPAC name is [3-[2-(3-but-2-enoyloxy-2-hydroxypropoxy)propoxy]-2-hydroxypropyl] but-2-enoate.

Molecular Properties

Compound Name[3-[2-(3-but-2-enoyloxy-2-hydroxypropoxy)propoxy]-2-hydroxypropyl] but-2-enoate
PubChem CID57016546
Molecular FormulaC17H28O8
Molecular Weight360.40 g/mol
Exact Mass360.18
IUPAC Name[3-[2-(3-but-2-enoyloxy-2-hydroxypropoxy)propoxy]-2-hydroxypropyl] but-2-enoate
SMILESCC=CC(=O)OCC(O)COCC(C)OCC(O)COC(=O)C=CC
InChIInChI=1S/C17H28O8/c1-4-6-16(20)24-11-14(18)9-22-8-13(3)23-10-15(19)12-25-17(21)7-5-2/h4-7,13-15,18-19H,8-12H2,1-3H3
InChIKeyIBBWSODYFSKCIJ-UHFFFAOYSA-N
XLogP0.37
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[2-hydroxy-3-[(2S,3R,4R,5R)-2,3,4,5,6-pentakis(3-but-2-enoyloxy-2-hydroxypropoxy)hexoxy]propyl] but-2-enoate
CID 141469644
[3-[4-(3-but-2-enoyloxy-2-hydroxypropoxy)butoxy]-2-hydroxypropyl] but-2-enoate
CID 57242154
[3-[3-(3-but-2-enoyloxy-2-hydroxypropoxy)-2,2-bis[(3-but-2-enoyloxy-2-hydroxypropoxy)methyl]propoxy]-2-hydroxypropyl] but-2-enoate
CID 141469566
[2-hydroxy-3-[(2R,3S,4R)-2,3,4-tris(3-but-2-enoyloxy-2-hydroxypropoxy)-5-oxopentoxy]propyl] but-2-enoate
CID 141469611
[3-[3-(3-but-2-enoyloxy-2-hydroxypropoxy)-2-[[3-(3-but-2-enoyloxy-2-hydroxypropoxy)-2,2-bis[(3-but-2-enoyloxy-2-hydroxypropoxy)methyl]propoxy]methyl]-2-[(3-but-2-enoyloxy-2-hydroxypropoxy)methyl]propoxy]-2-hydroxypropyl] but-2-enoate
CID 141469584
[3-[(3-but-2-enoyloxy-2-hydroxypropyl)-propan-2-ylamino]-2-hydroxypropyl] but-2-enoate
CID 141067910
2-(2-hydroxypropoxy)propyl hexa-2,4-dienoate
CID 123307387
[3-[3-[[3-(3-but-2-enoyloxy-2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl] but-2-enoate
CID 123160039
[3-[(Z)-but-2-enoyl]oxy-2-[[(Z)-but-2-enoyl]oxymethyl]propyl] (Z)-but-2-enoate
CID 101312278
(3-but-2-enoyloxy-2-hydroxypropyl)-dimethylazanium iodide
CID 141251209
(3-but-2-enoyloxy-2-hydroxypropyl)-triethylazanium
CID 141239684
(3-but-2-enoyloxy-2-hydroxypropyl)-triethylazanium iodide
CID 141251217

Frequently Asked Questions

What is the IUPAC name of [3-[2-(3-but-2-enoyloxy-2-hydroxypropoxy)propoxy]-2-hydroxypropyl] but-2-enoate?
The IUPAC name of [3-[2-(3-but-2-enoyloxy-2-hydroxypropoxy)propoxy]-2-hydroxypropyl] but-2-enoate (CID 57016546) is [3-[2-(3-but-2-enoyloxy-2-hydroxypropoxy)propoxy]-2-hydroxypropyl] but-2-enoate.
What is the SMILES notation for [3-[2-(3-but-2-enoyloxy-2-hydroxypropoxy)propoxy]-2-hydroxypropyl] but-2-enoate?
The canonical SMILES for [3-[2-(3-but-2-enoyloxy-2-hydroxypropoxy)propoxy]-2-hydroxypropyl] but-2-enoate is CC=CC(=O)OCC(O)COCC(C)OCC(O)COC(=O)C=CC.
What is the InChIKey of [3-[2-(3-but-2-enoyloxy-2-hydroxypropoxy)propoxy]-2-hydroxypropyl] but-2-enoate?
The InChIKey is IBBWSODYFSKCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O8/c1-4-6-16(20)24-11-14(18)9-22-8-13(3)23-10-15(19)12-25-17(21)7-5-2/h4-7,13-15,18-19H,8-12H2,1-3H3.
What are the key properties of [3-[2-(3-but-2-enoyloxy-2-hydroxypropoxy)propoxy]-2-hydroxypropyl] but-2-enoate?
[3-[2-(3-but-2-enoyloxy-2-hydroxypropoxy)propoxy]-2-hydroxypropyl] but-2-enoate has a molecular weight of 360.40 g/mol, XLogP of 0.37, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(3-but-2-enoyloxy-2-hydroxypropoxy)propoxy]-2-hydroxypropyl] but-2-enoate is sourced from PubChem (CID 57016546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).