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

C9H14O4 — CID 19873307

IUPACmethyl 6-methoxy-3-methyl-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCOC(=O)C1OC(OC)C=CC1C
InChIInChI=1S/C9H14O4/c1-6-4-5-7(11-2)13-8(6)9(10)12-3/h4-8H,1-3H3
InChIKeyOXVJHRAXTRGEBP-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.72
Rot. Bonds2

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

methyl 6-methoxy-3-methyl-3,6-dihydro-2H-pyran-2-carboxylate (PubChem CID 19873307) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is methyl 6-methoxy-3-methyl-3,6-dihydro-2H-pyran-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-3-methyl-3,6-dihydro-2H-pyran-2-carboxylate
PubChem CID19873307
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Namemethyl 6-methoxy-3-methyl-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCOC(=O)C1OC(OC)C=CC1C
InChIInChI=1S/C9H14O4/c1-6-4-5-7(11-2)13-8(6)9(10)12-3/h4-8H,1-3H3
InChIKeyOXVJHRAXTRGEBP-UHFFFAOYSA-N
XLogP0.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-3-methyl-3,6-dihydro-2H-pyran-2-carboxylate?
The IUPAC name of methyl 6-methoxy-3-methyl-3,6-dihydro-2H-pyran-2-carboxylate (CID 19873307) is methyl 6-methoxy-3-methyl-3,6-dihydro-2H-pyran-2-carboxylate.
What is the SMILES notation for methyl 6-methoxy-3-methyl-3,6-dihydro-2H-pyran-2-carboxylate?
The canonical SMILES for methyl 6-methoxy-3-methyl-3,6-dihydro-2H-pyran-2-carboxylate is COC(=O)C1OC(OC)C=CC1C.
What is the InChIKey of methyl 6-methoxy-3-methyl-3,6-dihydro-2H-pyran-2-carboxylate?
The InChIKey is OXVJHRAXTRGEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-6-4-5-7(11-2)13-8(6)9(10)12-3/h4-8H,1-3H3.
What are the key properties of methyl 6-methoxy-3-methyl-3,6-dihydro-2H-pyran-2-carboxylate?
methyl 6-methoxy-3-methyl-3,6-dihydro-2H-pyran-2-carboxylate has a molecular weight of 186.21 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-3-methyl-3,6-dihydro-2H-pyran-2-carboxylate is sourced from PubChem (CID 19873307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).