(Z)-4-oxo-4-(1-prop-2-enoxyprop-2-enoxy)but-2-enoic acid

C10H12O5 — CID 141350029

IUPAC(Z)-4-oxo-4-(1-prop-2-enoxyprop-2-enoxy)but-2-enoic acid
SMILESC=CCOC(C=C)OC(=O)/C=C\C(=O)O
InChIInChI=1S/C10H12O5/c1-3-7-14-10(4-2)15-9(13)6-5-8(11)12/h3-6,10H,1-2,7H2,(H,11,12)/b6-5-
InChIKeyGTYANKJZGSHMBX-WAYWQWQTSA-N
MW212.20 g/mol
LogP0.89
Rot. Bonds7

About (Z)-4-oxo-4-(1-prop-2-enoxyprop-2-enoxy)but-2-enoic acid

(Z)-4-oxo-4-(1-prop-2-enoxyprop-2-enoxy)but-2-enoic acid (PubChem CID 141350029) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is (Z)-4-oxo-4-(1-prop-2-enoxyprop-2-enoxy)but-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-oxo-4-(1-prop-2-enoxyprop-2-enoxy)but-2-enoic acid
PubChem CID141350029
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name(Z)-4-oxo-4-(1-prop-2-enoxyprop-2-enoxy)but-2-enoic acid
SMILESC=CCOC(C=C)OC(=O)/C=C\C(=O)O
InChIInChI=1S/C10H12O5/c1-3-7-14-10(4-2)15-9(13)6-5-8(11)12/h3-6,10H,1-2,7H2,(H,11,12)/b6-5-
InChIKeyGTYANKJZGSHMBX-WAYWQWQTSA-N
XLogP0.89
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-4-oxo-4-(1-prop-2-enoxyprop-2-enoxy)but-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-4-oxo-4-(1-phenylbut-3-enoxy)but-2-enoic acid
CID 18458468
(Z)-4-oxo-4-(4-oxohex-5-en-3-yloxy)but-2-enoic acid
CID 174452543
azane;4-oxo-4-(1-prop-2-enoyloxypropoxy)but-2-enoic acid
CID 173170823
(Z)-4-oxo-4-(1,2,2-trifluoroethoxy)but-2-enoic acid
CID 174546881
(Z)-4-oxo-4-pent-4-enoxybut-2-enoic acid
CID 141049132
bis(1-hydroxyprop-2-enyl) (E)-but-2-enedioate
CID 87098165
(E)-4-oxo-4-(3-oxopent-4-enoxy)but-2-enoic acid
CID 87874272
(E)-4-(3-methylbutan-2-yloxy)-4-oxobut-2-enoic acid
CID 88603317
(Z)-4-[(2R,3S,4R,5R)-1,2,3,4,5,6-hexahydroxyhexoxy]-4-oxobut-2-enoic acid
CID 88724547
but-1-ene;(Z)-but-2-enedioic acid
CID 88615133
(E)-4-[2-[(E)-3-carboxyprop-2-enoyl]oxyethoxy]-4-oxobut-2-enoic acid
CID 6436495
bis(prop-2-enyl) (Z)-but-2-enedioate
CID 5354266

Frequently Asked Questions

What is the IUPAC name of (Z)-4-oxo-4-(1-prop-2-enoxyprop-2-enoxy)but-2-enoic acid?
The IUPAC name of (Z)-4-oxo-4-(1-prop-2-enoxyprop-2-enoxy)but-2-enoic acid (CID 141350029) is (Z)-4-oxo-4-(1-prop-2-enoxyprop-2-enoxy)but-2-enoic acid.
What is the SMILES notation for (Z)-4-oxo-4-(1-prop-2-enoxyprop-2-enoxy)but-2-enoic acid?
The canonical SMILES for (Z)-4-oxo-4-(1-prop-2-enoxyprop-2-enoxy)but-2-enoic acid is C=CCOC(C=C)OC(=O)/C=C\C(=O)O.
What is the InChIKey of (Z)-4-oxo-4-(1-prop-2-enoxyprop-2-enoxy)but-2-enoic acid?
The InChIKey is GTYANKJZGSHMBX-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H12O5/c1-3-7-14-10(4-2)15-9(13)6-5-8(11)12/h3-6,10H,1-2,7H2,(H,11,12)/b6-5-.
What are the key properties of (Z)-4-oxo-4-(1-prop-2-enoxyprop-2-enoxy)but-2-enoic acid?
(Z)-4-oxo-4-(1-prop-2-enoxyprop-2-enoxy)but-2-enoic acid has a molecular weight of 212.20 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-oxo-4-(1-prop-2-enoxyprop-2-enoxy)but-2-enoic acid is sourced from PubChem (CID 141350029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).