methyl 4-methyl-3,6-dihydro-2H-pyran-2-carboxylate

C8H12O3 — CID 15200909

IUPACmethyl 4-methyl-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCOC(=O)C1CC(C)=CCO1
InChIInChI=1S/C8H12O3/c1-6-3-4-11-7(5-6)8(9)10-2/h3,7H,4-5H2,1-2H3
InChIKeyQRVWCQUZQVIMFD-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.89
Rot. Bonds1

About methyl 4-methyl-3,6-dihydro-2H-pyran-2-carboxylate

methyl 4-methyl-3,6-dihydro-2H-pyran-2-carboxylate (PubChem CID 15200909) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is methyl 4-methyl-3,6-dihydro-2H-pyran-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3,6-dihydro-2H-pyran-2-carboxylate
PubChem CID15200909
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Namemethyl 4-methyl-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCOC(=O)C1CC(C)=CCO1
InChIInChI=1S/C8H12O3/c1-6-3-4-11-7(5-6)8(9)10-2/h3,7H,4-5H2,1-2H3
InChIKeyQRVWCQUZQVIMFD-UHFFFAOYSA-N
XLogP0.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 4-methyl-3,6-dihydro-2H-pyran-2-carboxylate 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 4-methyl-3,6-dihydro-2H-pyran-2-carboxylate?
The IUPAC name of methyl 4-methyl-3,6-dihydro-2H-pyran-2-carboxylate (CID 15200909) is methyl 4-methyl-3,6-dihydro-2H-pyran-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3,6-dihydro-2H-pyran-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3,6-dihydro-2H-pyran-2-carboxylate is COC(=O)C1CC(C)=CCO1.
What is the InChIKey of methyl 4-methyl-3,6-dihydro-2H-pyran-2-carboxylate?
The InChIKey is QRVWCQUZQVIMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-6-3-4-11-7(5-6)8(9)10-2/h3,7H,4-5H2,1-2H3.
What are the key properties of methyl 4-methyl-3,6-dihydro-2H-pyran-2-carboxylate?
methyl 4-methyl-3,6-dihydro-2H-pyran-2-carboxylate has a molecular weight of 156.18 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3,6-dihydro-2H-pyran-2-carboxylate is sourced from PubChem (CID 15200909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).