methyl 3-hydroxy-4-methyl-2-methylidenepent-4-enoate

C8H12O3 — CID 10351915

IUPACmethyl 3-hydroxy-4-methyl-2-methylidenepent-4-enoate
SMILESC=C(C)C(O)C(=C)C(=O)OC
InChIInChI=1S/C8H12O3/c1-5(2)7(9)6(3)8(10)11-4/h7,9H,1,3H2,2,4H3
InChIKeyXBXCVGLEVYULRE-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.65
Rot. Bonds3

About methyl 3-hydroxy-4-methyl-2-methylidenepent-4-enoate

methyl 3-hydroxy-4-methyl-2-methylidenepent-4-enoate (PubChem CID 10351915) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is methyl 3-hydroxy-4-methyl-2-methylidenepent-4-enoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-4-methyl-2-methylidenepent-4-enoate
PubChem CID10351915
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Namemethyl 3-hydroxy-4-methyl-2-methylidenepent-4-enoate
SMILESC=C(C)C(O)C(=C)C(=O)OC
InChIInChI=1S/C8H12O3/c1-5(2)7(9)6(3)8(10)11-4/h7,9H,1,3H2,2,4H3
InChIKeyXBXCVGLEVYULRE-UHFFFAOYSA-N
XLogP0.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 3-hydroxy-4-methyl-2-methylidenepent-4-enoate 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 methyl 3-hydroxy-4-methyl-2-methylidenepent-4-enoate?
The IUPAC name of methyl 3-hydroxy-4-methyl-2-methylidenepent-4-enoate (CID 10351915) is methyl 3-hydroxy-4-methyl-2-methylidenepent-4-enoate.
What is the SMILES notation for methyl 3-hydroxy-4-methyl-2-methylidenepent-4-enoate?
The canonical SMILES for methyl 3-hydroxy-4-methyl-2-methylidenepent-4-enoate is C=C(C)C(O)C(=C)C(=O)OC.
What is the InChIKey of methyl 3-hydroxy-4-methyl-2-methylidenepent-4-enoate?
The InChIKey is XBXCVGLEVYULRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-5(2)7(9)6(3)8(10)11-4/h7,9H,1,3H2,2,4H3.
What are the key properties of methyl 3-hydroxy-4-methyl-2-methylidenepent-4-enoate?
methyl 3-hydroxy-4-methyl-2-methylidenepent-4-enoate has a molecular weight of 156.18 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-4-methyl-2-methylidenepent-4-enoate is sourced from PubChem (CID 10351915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).