(Z)-4-methoxy-4-oxobut-2-enoic acid;2-methylidenebutanedioic acid

C10H12O8 — CID 174862788

IUPAC(Z)-4-methoxy-4-oxobut-2-enoic acid;2-methylidenebutanedioic acid
SMILESC=C(CC(=O)O)C(=O)O.COC(=O)/C=C\C(=O)O
InChIInChI=1S/2C5H6O4/c1-9-5(8)3-2-4(6)7;1-3(5(8)9)2-4(6)7/h2-3H,1H3,(H,6,7);1-2H2,(H,6,7)(H,8,9)/b3-2-;
InChIKeyADGLMLUWAXXIRR-OLGQORCHSA-N
MW260.20 g/mol
LogP-0.10
Rot. Bonds5

About (Z)-4-methoxy-4-oxobut-2-enoic acid;2-methylidenebutanedioic acid

(Z)-4-methoxy-4-oxobut-2-enoic acid;2-methylidenebutanedioic acid (PubChem CID 174862788) has the molecular formula C10H12O8 and a molecular weight of 260.20 g/mol. Its IUPAC name is (Z)-4-methoxy-4-oxobut-2-enoic acid;2-methylidenebutanedioic acid.

Molecular Properties

Compound Name(Z)-4-methoxy-4-oxobut-2-enoic acid;2-methylidenebutanedioic acid
PubChem CID174862788
Molecular FormulaC10H12O8
Molecular Weight260.20 g/mol
Exact Mass260.05
IUPAC Name(Z)-4-methoxy-4-oxobut-2-enoic acid;2-methylidenebutanedioic acid
SMILESC=C(CC(=O)O)C(=O)O.COC(=O)/C=C\C(=O)O
InChIInChI=1S/2C5H6O4/c1-9-5(8)3-2-4(6)7;1-3(5(8)9)2-4(6)7/h2-3H,1H3,(H,6,7);1-2H2,(H,6,7)(H,8,9)/b3-2-;
InChIKeyADGLMLUWAXXIRR-OLGQORCHSA-N
XLogP-0.10
TPSA138.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethene;(Z)-4-methoxy-4-oxobut-2-enoic acid
CID 87864745
but-2-enedioic acid;dimethyl but-2-enedioate
CID 160537834
azane;2-methylidenebutanedioic acid;methyl prop-2-enoate
CID 88746751
methanol;(Z)-4-methoxy-4-oxobut-2-enoic acid
CID 174783551
1,1-dichloroethene;2-methylidenebutanedioic acid;methyl prop-2-enoate
CID 86751954
(Z)-4-(2-ethylhexoxy)-4-oxobut-2-enoic acid;2-methylidenebutanedioic acid
CID 159097457
2-methylidenebutanedioic acid;zirconium
CID 158245785
methane;2-methylidenebutanedioic acid
CID 158038738
2-methylidenebutanedioic acid;methyl 2-methylprop-2-enoate
CID 18995564
2-methylbuta-1,3-diene;2-methylidenebutanedioic acid
CID 162113299
ethenoxyethene;2-methylidenebutanedioic acid
CID 159680731
(E)-but-2-enoic acid;ethenesulfonic acid;2-methylidenebutanedioic acid
CID 87673476

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methoxy-4-oxobut-2-enoic acid;2-methylidenebutanedioic acid?
The IUPAC name of (Z)-4-methoxy-4-oxobut-2-enoic acid;2-methylidenebutanedioic acid (CID 174862788) is (Z)-4-methoxy-4-oxobut-2-enoic acid;2-methylidenebutanedioic acid.
What is the SMILES notation for (Z)-4-methoxy-4-oxobut-2-enoic acid;2-methylidenebutanedioic acid?
The canonical SMILES for (Z)-4-methoxy-4-oxobut-2-enoic acid;2-methylidenebutanedioic acid is C=C(CC(=O)O)C(=O)O.COC(=O)/C=C\C(=O)O.
What is the InChIKey of (Z)-4-methoxy-4-oxobut-2-enoic acid;2-methylidenebutanedioic acid?
The InChIKey is ADGLMLUWAXXIRR-OLGQORCHSA-N. The full InChI is InChI=1S/2C5H6O4/c1-9-5(8)3-2-4(6)7;1-3(5(8)9)2-4(6)7/h2-3H,1H3,(H,6,7);1-2H2,(H,6,7)(H,8,9)/b3-2-;.
What are the key properties of (Z)-4-methoxy-4-oxobut-2-enoic acid;2-methylidenebutanedioic acid?
(Z)-4-methoxy-4-oxobut-2-enoic acid;2-methylidenebutanedioic acid has a molecular weight of 260.20 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methoxy-4-oxobut-2-enoic acid;2-methylidenebutanedioic acid is sourced from PubChem (CID 174862788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).