methyl 3-cyclohexyl-4-hydroxy-2-methylbut-2-enoate

C12H20O3 — CID 174741411

IUPACmethyl 3-cyclohexyl-4-hydroxy-2-methylbut-2-enoate
SMILESCOC(=O)C(C)=C(CO)C1CCCCC1
InChIInChI=1S/C12H20O3/c1-9(12(14)15-2)11(8-13)10-6-4-3-5-7-10/h10,13H,3-8H2,1-2H3
InChIKeyAROGMZFRLJSZNH-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.05
Rot. Bonds3

About methyl 3-cyclohexyl-4-hydroxy-2-methylbut-2-enoate

methyl 3-cyclohexyl-4-hydroxy-2-methylbut-2-enoate (PubChem CID 174741411) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is methyl 3-cyclohexyl-4-hydroxy-2-methylbut-2-enoate.

Molecular Properties

Compound Namemethyl 3-cyclohexyl-4-hydroxy-2-methylbut-2-enoate
PubChem CID174741411
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Namemethyl 3-cyclohexyl-4-hydroxy-2-methylbut-2-enoate
SMILESCOC(=O)C(C)=C(CO)C1CCCCC1
InChIInChI=1S/C12H20O3/c1-9(12(14)15-2)11(8-13)10-6-4-3-5-7-10/h10,13H,3-8H2,1-2H3
InChIKeyAROGMZFRLJSZNH-UHFFFAOYSA-N
XLogP2.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 3-cyclohexyl-4-hydroxy-2-methylbut-2-enoate 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 4-hydroxy-2-methyl-3-(4-methylcyclohexyl)but-2-enoate
CID 57219771
methyl 3-cyclohexyl-3-hydroxy-2-methylprop-2-enoate
CID 174624623
methyl 3,3-dicyclopentyl-2-methylprop-2-enoate
CID 69335250
cyclopentyl 3-cyclopentyl-2-methylpent-2-enoate
CID 68952375
ethane;methyl cyclohexanecarboxylate
CID 90871014
3-cyclohexyl-2-methylpent-2-enethioic S-acid
CID 54517934
[(E)-3-cyclohexylbut-2-enyl] methyl carbonate
CID 11031157
N-methoxycyclopentanecarboxamide
CID 59130435
methyl 3-cyclohexyl-2-oxopentanoate
CID 174214422
methyl 2-(cyclopentanecarbonyl)prop-2-enoate
CID 126552661
methyl 3-cyano-2-cyclohexylprop-2-enoate
CID 69231273
dimethyl 2,3,4,5-tetramethylhexa-2,4-dienedioate
CID 131887550

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclohexyl-4-hydroxy-2-methylbut-2-enoate?
The IUPAC name of methyl 3-cyclohexyl-4-hydroxy-2-methylbut-2-enoate (CID 174741411) is methyl 3-cyclohexyl-4-hydroxy-2-methylbut-2-enoate.
What is the SMILES notation for methyl 3-cyclohexyl-4-hydroxy-2-methylbut-2-enoate?
The canonical SMILES for methyl 3-cyclohexyl-4-hydroxy-2-methylbut-2-enoate is COC(=O)C(C)=C(CO)C1CCCCC1.
What is the InChIKey of methyl 3-cyclohexyl-4-hydroxy-2-methylbut-2-enoate?
The InChIKey is AROGMZFRLJSZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-9(12(14)15-2)11(8-13)10-6-4-3-5-7-10/h10,13H,3-8H2,1-2H3.
What are the key properties of methyl 3-cyclohexyl-4-hydroxy-2-methylbut-2-enoate?
methyl 3-cyclohexyl-4-hydroxy-2-methylbut-2-enoate has a molecular weight of 212.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclohexyl-4-hydroxy-2-methylbut-2-enoate is sourced from PubChem (CID 174741411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).