[2-[(Z)-but-2-enoyl]oxy-3-hydroxypropyl] (Z)-but-2-enoate

C11H16O5 — CID 101312211

IUPAC[2-[(Z)-but-2-enoyl]oxy-3-hydroxypropyl] (Z)-but-2-enoate
SMILESC/C=C\C(=O)OCC(CO)OC(=O)/C=C\C
InChIInChI=1S/C11H16O5/c1-3-5-10(13)15-8-9(7-12)16-11(14)6-4-2/h3-6,9,12H,7-8H2,1-2H3/b5-3-,6-4-
InChIKeyATMJZMZTSPPQRU-GLIMQPGKSA-N
MW228.24 g/mol
LogP0.59
Rot. Bonds6

About [2-[(Z)-but-2-enoyl]oxy-3-hydroxypropyl] (Z)-but-2-enoate

[2-[(Z)-but-2-enoyl]oxy-3-hydroxypropyl] (Z)-but-2-enoate (PubChem CID 101312211) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is [2-[(Z)-but-2-enoyl]oxy-3-hydroxypropyl] (Z)-but-2-enoate.

Molecular Properties

Compound Name[2-[(Z)-but-2-enoyl]oxy-3-hydroxypropyl] (Z)-but-2-enoate
PubChem CID101312211
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name[2-[(Z)-but-2-enoyl]oxy-3-hydroxypropyl] (Z)-but-2-enoate
SMILESC/C=C\C(=O)OCC(CO)OC(=O)/C=C\C
InChIInChI=1S/C11H16O5/c1-3-5-10(13)15-8-9(7-12)16-11(14)6-4-2/h3-6,9,12H,7-8H2,1-2H3/b5-3-,6-4-
InChIKeyATMJZMZTSPPQRU-GLIMQPGKSA-N
XLogP0.59
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3-dihydroxypropan-2-yl but-2-enoate
CID 151832550
[3-hydroxy-2-(hydroxymethyl)propyl] (Z)-but-2-enoate
CID 101312274
[3-[(Z)-but-2-enoyl]oxy-2-[[(Z)-but-2-enoyl]oxymethyl]propyl] (Z)-but-2-enoate
CID 101312278
2-[[(E)-but-2-enoyl]oxymethyl]but-3-enyl (E)-but-2-enoate
CID 59047487
[2-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3-hydroxypropyl] 3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 76707767
2-prop-2-enoyloxypropyl (E)-but-2-enoate
CID 174502403
2-[(E)-but-2-enoyl]oxyethyl (E)-but-2-enoate;ethane-1,2-diol
CID 87089825
[1-hydroxy-3-(3-methylbut-2-enoyloxy)propan-2-yl] 3-methylbutanoate
CID 85194769
(3R)-3-[(Z)-but-2-enoyl]oxypentanoic acid
CID 170989002
1-O-(2-methylpropyl) 4-O-pentan-3-yl (E)-but-2-enedioate
CID 91721922
3-[(E)-but-2-enoyl]oxybutan-2-yl (E)-but-2-enoate
CID 101312230
[3-hydroxy-2-[(2E)-2-methoxyiminoacetyl]oxypropyl] prop-2-enoate
CID 15702329

Frequently Asked Questions

What is the IUPAC name of [2-[(Z)-but-2-enoyl]oxy-3-hydroxypropyl] (Z)-but-2-enoate?
The IUPAC name of [2-[(Z)-but-2-enoyl]oxy-3-hydroxypropyl] (Z)-but-2-enoate (CID 101312211) is [2-[(Z)-but-2-enoyl]oxy-3-hydroxypropyl] (Z)-but-2-enoate.
What is the SMILES notation for [2-[(Z)-but-2-enoyl]oxy-3-hydroxypropyl] (Z)-but-2-enoate?
The canonical SMILES for [2-[(Z)-but-2-enoyl]oxy-3-hydroxypropyl] (Z)-but-2-enoate is C/C=C\C(=O)OCC(CO)OC(=O)/C=C\C.
What is the InChIKey of [2-[(Z)-but-2-enoyl]oxy-3-hydroxypropyl] (Z)-but-2-enoate?
The InChIKey is ATMJZMZTSPPQRU-GLIMQPGKSA-N. The full InChI is InChI=1S/C11H16O5/c1-3-5-10(13)15-8-9(7-12)16-11(14)6-4-2/h3-6,9,12H,7-8H2,1-2H3/b5-3-,6-4-.
What are the key properties of [2-[(Z)-but-2-enoyl]oxy-3-hydroxypropyl] (Z)-but-2-enoate?
[2-[(Z)-but-2-enoyl]oxy-3-hydroxypropyl] (Z)-but-2-enoate has a molecular weight of 228.24 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(Z)-but-2-enoyl]oxy-3-hydroxypropyl] (Z)-but-2-enoate is sourced from PubChem (CID 101312211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).