methyl 2,6-dimethyl-3,4-dihydropyran-2-carboxylate

C9H14O3 — CID 10899110

IUPACmethyl 2,6-dimethyl-3,4-dihydropyran-2-carboxylate
SMILESCOC(=O)C1(C)CCC=C(C)O1
InChIInChI=1S/C9H14O3/c1-7-5-4-6-9(2,12-7)8(10)11-3/h5H,4,6H2,1-3H3
InChIKeyQWQLRGMJOAXNGK-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.63
Rot. Bonds1

About methyl 2,6-dimethyl-3,4-dihydropyran-2-carboxylate

methyl 2,6-dimethyl-3,4-dihydropyran-2-carboxylate (PubChem CID 10899110) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is methyl 2,6-dimethyl-3,4-dihydropyran-2-carboxylate.

Molecular Properties

Compound Namemethyl 2,6-dimethyl-3,4-dihydropyran-2-carboxylate
PubChem CID10899110
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Namemethyl 2,6-dimethyl-3,4-dihydropyran-2-carboxylate
SMILESCOC(=O)C1(C)CCC=C(C)O1
InChIInChI=1S/C9H14O3/c1-7-5-4-6-9(2,12-7)8(10)11-3/h5H,4,6H2,1-3H3
InChIKeyQWQLRGMJOAXNGK-UHFFFAOYSA-N
XLogP1.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2,6-dimethyl-3,4-dihydropyran-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 2,6-dimethyl-3,4-dihydropyran-2-carboxylate?
The IUPAC name of methyl 2,6-dimethyl-3,4-dihydropyran-2-carboxylate (CID 10899110) is methyl 2,6-dimethyl-3,4-dihydropyran-2-carboxylate.
What is the SMILES notation for methyl 2,6-dimethyl-3,4-dihydropyran-2-carboxylate?
The canonical SMILES for methyl 2,6-dimethyl-3,4-dihydropyran-2-carboxylate is COC(=O)C1(C)CCC=C(C)O1.
What is the InChIKey of methyl 2,6-dimethyl-3,4-dihydropyran-2-carboxylate?
The InChIKey is QWQLRGMJOAXNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-7-5-4-6-9(2,12-7)8(10)11-3/h5H,4,6H2,1-3H3.
What are the key properties of methyl 2,6-dimethyl-3,4-dihydropyran-2-carboxylate?
methyl 2,6-dimethyl-3,4-dihydropyran-2-carboxylate has a molecular weight of 170.21 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6-dimethyl-3,4-dihydropyran-2-carboxylate is sourced from PubChem (CID 10899110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).