4-hydroxy-5-methoxy-4-methyl-2-methylidene-5-oxopentanoic acid

C8H12O5 — CID 89306235

IUPAC4-hydroxy-5-methoxy-4-methyl-2-methylidene-5-oxopentanoic acid
SMILESC=C(CC(C)(O)C(=O)OC)C(=O)O
InChIInChI=1S/C8H12O5/c1-5(6(9)10)4-8(2,12)7(11)13-3/h12H,1,4H2,2-3H3,(H,9,10)
InChIKeyOGOAXVXFOZUNHM-UHFFFAOYSA-N
MW188.18 g/mol
LogP-0.06
Rot. Bonds4

About 4-hydroxy-5-methoxy-4-methyl-2-methylidene-5-oxopentanoic acid

4-hydroxy-5-methoxy-4-methyl-2-methylidene-5-oxopentanoic acid (PubChem CID 89306235) has the molecular formula C8H12O5 and a molecular weight of 188.18 g/mol. Its IUPAC name is 4-hydroxy-5-methoxy-4-methyl-2-methylidene-5-oxopentanoic acid.

Molecular Properties

Compound Name4-hydroxy-5-methoxy-4-methyl-2-methylidene-5-oxopentanoic acid
PubChem CID89306235
Molecular FormulaC8H12O5
Molecular Weight188.18 g/mol
Exact Mass188.07
IUPAC Name4-hydroxy-5-methoxy-4-methyl-2-methylidene-5-oxopentanoic acid
SMILESC=C(CC(C)(O)C(=O)OC)C(=O)O
InChIInChI=1S/C8H12O5/c1-5(6(9)10)4-8(2,12)7(11)13-3/h12H,1,4H2,2-3H3,(H,9,10)
InChIKeyOGOAXVXFOZUNHM-UHFFFAOYSA-N
XLogP-0.06
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-hydroxy-5-methoxy-4-methyl-2-methylidene-5-oxopentanoic 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

methyl (2R)-2-hydroxy-2,4-dimethylpent-4-enoate
CID 177459187
methyl 2-hydroxy-2-methyl-4-phenylpent-4-enoate
CID 102353733
4,4-dimethyl-2-methylidene-5-trimethoxysilylpentanoic acid
CID 88826788
(2,5-dicarboxy-9-methoxy-4,4,7,7,8,8-hexamethyl-9-oxonon-1-en-5-yl)-methylidyneazanium
CID 163987235
4,4-diethyl-2-methylidenehexanoic acid
CID 87644977
λ2-plumbane;4-methoxy-2-methylidene-4-oxobutanoic acid
CID 173454625
5-hydroxy-4-methyl-2-methylidene-4-nitropentanoic acid
CID 130301213
methyl (2R)-2-hydroxy-2-methyl-3-phenylpropanoate
CID 101122198
methyl 2-hydroxy-2-methylheptanoate
CID 80558778
2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]prop-2-enoic acid
CID 106190806
5,5,5-trifluoro-4-hydroxy-2-methylidene-4-(trifluoromethyl)pentanoic acid
CID 58823536
(2S)-2,3-dihydroxy-4-methoxy-3-methyl-4-oxobutanoic acid
CID 175112445

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methoxy-4-methyl-2-methylidene-5-oxopentanoic acid?
The IUPAC name of 4-hydroxy-5-methoxy-4-methyl-2-methylidene-5-oxopentanoic acid (CID 89306235) is 4-hydroxy-5-methoxy-4-methyl-2-methylidene-5-oxopentanoic acid.
What is the SMILES notation for 4-hydroxy-5-methoxy-4-methyl-2-methylidene-5-oxopentanoic acid?
The canonical SMILES for 4-hydroxy-5-methoxy-4-methyl-2-methylidene-5-oxopentanoic acid is C=C(CC(C)(O)C(=O)OC)C(=O)O.
What is the InChIKey of 4-hydroxy-5-methoxy-4-methyl-2-methylidene-5-oxopentanoic acid?
The InChIKey is OGOAXVXFOZUNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O5/c1-5(6(9)10)4-8(2,12)7(11)13-3/h12H,1,4H2,2-3H3,(H,9,10).
What are the key properties of 4-hydroxy-5-methoxy-4-methyl-2-methylidene-5-oxopentanoic acid?
4-hydroxy-5-methoxy-4-methyl-2-methylidene-5-oxopentanoic acid has a molecular weight of 188.18 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methoxy-4-methyl-2-methylidene-5-oxopentanoic acid is sourced from PubChem (CID 89306235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).