(Z)-4-(2,3-dimethylbutan-2-yloxy)-4-oxobut-2-enoic acid

C10H16O4 — CID 88826298

IUPAC(Z)-4-(2,3-dimethylbutan-2-yloxy)-4-oxobut-2-enoic acid
SMILESCC(C)C(C)(C)OC(=O)/C=C\C(=O)O
InChIInChI=1S/C10H16O4/c1-7(2)10(3,4)14-9(13)6-5-8(11)12/h5-7H,1-4H3,(H,11,12)/b6-5-
InChIKeyQHBGPKGJFOCTSC-WAYWQWQTSA-N
MW200.23 g/mol
LogP1.61
Rot. Bonds4

About (Z)-4-(2,3-dimethylbutan-2-yloxy)-4-oxobut-2-enoic acid

(Z)-4-(2,3-dimethylbutan-2-yloxy)-4-oxobut-2-enoic acid (PubChem CID 88826298) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (Z)-4-(2,3-dimethylbutan-2-yloxy)-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-(2,3-dimethylbutan-2-yloxy)-4-oxobut-2-enoic acid
PubChem CID88826298
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(Z)-4-(2,3-dimethylbutan-2-yloxy)-4-oxobut-2-enoic acid
SMILESCC(C)C(C)(C)OC(=O)/C=C\C(=O)O
InChIInChI=1S/C10H16O4/c1-7(2)10(3,4)14-9(13)6-5-8(11)12/h5-7H,1-4H3,(H,11,12)/b6-5-
InChIKeyQHBGPKGJFOCTSC-WAYWQWQTSA-N
XLogP1.61
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-4-(2,3-dimethylbutan-2-yloxy)-4-oxobut-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

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2,3-dimethylbutan-2-yloxy)-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-(2,3-dimethylbutan-2-yloxy)-4-oxobut-2-enoic acid (CID 88826298) is (Z)-4-(2,3-dimethylbutan-2-yloxy)-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-(2,3-dimethylbutan-2-yloxy)-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-(2,3-dimethylbutan-2-yloxy)-4-oxobut-2-enoic acid is CC(C)C(C)(C)OC(=O)/C=C\C(=O)O.
What is the InChIKey of (Z)-4-(2,3-dimethylbutan-2-yloxy)-4-oxobut-2-enoic acid?
The InChIKey is QHBGPKGJFOCTSC-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H16O4/c1-7(2)10(3,4)14-9(13)6-5-8(11)12/h5-7H,1-4H3,(H,11,12)/b6-5-.
What are the key properties of (Z)-4-(2,3-dimethylbutan-2-yloxy)-4-oxobut-2-enoic acid?
(Z)-4-(2,3-dimethylbutan-2-yloxy)-4-oxobut-2-enoic acid has a molecular weight of 200.23 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2,3-dimethylbutan-2-yloxy)-4-oxobut-2-enoic acid is sourced from PubChem (CID 88826298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).