(Z)-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-4-oxobut-2-enoic acid

C10H12O7 — CID 90382332

IUPAC(Z)-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-4-oxobut-2-enoic acid
SMILESC=CC(=O)OCC(O)COC(=O)/C=C\C(=O)O
InChIInChI=1S/C10H12O7/c1-2-9(14)16-5-7(11)6-17-10(15)4-3-8(12)13/h2-4,7,11H,1,5-6H2,(H,12,13)/b4-3-
InChIKeyHZYVDJPBIUNTFA-ARJAWSKDSA-N
MW244.20 g/mol
LogP-0.74
Rot. Bonds7

About (Z)-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-4-oxobut-2-enoic acid

(Z)-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-4-oxobut-2-enoic acid (PubChem CID 90382332) has the molecular formula C10H12O7 and a molecular weight of 244.20 g/mol. Its IUPAC name is (Z)-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-4-oxobut-2-enoic acid
PubChem CID90382332
Molecular FormulaC10H12O7
Molecular Weight244.20 g/mol
Exact Mass244.06
IUPAC Name(Z)-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-4-oxobut-2-enoic acid
SMILESC=CC(=O)OCC(O)COC(=O)/C=C\C(=O)O
InChIInChI=1S/C10H12O7/c1-2-9(14)16-5-7(11)6-17-10(15)4-3-8(12)13/h2-4,7,11H,1,5-6H2,(H,12,13)/b4-3-
InChIKeyHZYVDJPBIUNTFA-ARJAWSKDSA-N
XLogP-0.74
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 5-0.74
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

4-(2,3-dihydroxypropoxy)-4-oxobut-2-enoic acid
CID 54038335
(Z)-4-[2-hydroxy-3-[(Z)-4-oxobut-2-enoyl]oxypropoxy]-4-oxobut-2-enoic acid
CID 89216787
[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate;methane
CID 158073431
4-oxo-4-(4-prop-2-enoyloxybutoxy)but-2-enoic acid
CID 73413412
(3-buta-1,3-dien-2-yloxy-2-hydroxypropyl) prop-2-enoate
CID 176752228
(3-bromo-2-hydroxypropyl) prop-2-enoate
CID 54425888
4-oxo-4-(2-prop-2-enoyloxybutoxy)but-2-enoic acid
CID 91078384
(2-hydroxy-3-sulfanylpropyl) prop-2-enoate
CID 90160037
[(2S)-2-hydroxybutyl] prop-2-enoate
CID 141242121
(4-hydroxy-5-prop-2-enoyloxypentyl) prop-2-enoate
CID 19429008
2-hydroxy-3-prop-2-enoyloxypropanoic acid
CID 118523879
(2-hydroxy-3-prop-2-enoyloxypropyl) 2,2-dimethylpropanoate
CID 88553143

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-4-oxobut-2-enoic acid (CID 90382332) is (Z)-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-4-oxobut-2-enoic acid is C=CC(=O)OCC(O)COC(=O)/C=C\C(=O)O.
What is the InChIKey of (Z)-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-4-oxobut-2-enoic acid?
The InChIKey is HZYVDJPBIUNTFA-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H12O7/c1-2-9(14)16-5-7(11)6-17-10(15)4-3-8(12)13/h2-4,7,11H,1,5-6H2,(H,12,13)/b4-3-.
What are the key properties of (Z)-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-4-oxobut-2-enoic acid?
(Z)-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-4-oxobut-2-enoic acid has a molecular weight of 244.20 g/mol, XLogP of -0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-4-oxobut-2-enoic acid is sourced from PubChem (CID 90382332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).