methyl 6-methyl-3,4-dihydro-2H-pyran-5-carboxylate

C8H12O3 — CID 14089449

IUPACmethyl 6-methyl-3,4-dihydro-2H-pyran-5-carboxylate
SMILESCOC(=O)C1=C(C)OCCC1
InChIInChI=1S/C8H12O3/c1-6-7(8(9)10-2)4-3-5-11-6/h3-5H2,1-2H3
InChIKeyGPYBLZCROOSNOX-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.24
Rot. Bonds1

About methyl 6-methyl-3,4-dihydro-2H-pyran-5-carboxylate

methyl 6-methyl-3,4-dihydro-2H-pyran-5-carboxylate (PubChem CID 14089449) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is methyl 6-methyl-3,4-dihydro-2H-pyran-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-3,4-dihydro-2H-pyran-5-carboxylate
PubChem CID14089449
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Namemethyl 6-methyl-3,4-dihydro-2H-pyran-5-carboxylate
SMILESCOC(=O)C1=C(C)OCCC1
InChIInChI=1S/C8H12O3/c1-6-7(8(9)10-2)4-3-5-11-6/h3-5H2,1-2H3
InChIKeyGPYBLZCROOSNOX-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-3,4-dihydro-2H-pyran-5-carboxylate?
The IUPAC name of methyl 6-methyl-3,4-dihydro-2H-pyran-5-carboxylate (CID 14089449) is methyl 6-methyl-3,4-dihydro-2H-pyran-5-carboxylate.
What is the SMILES notation for methyl 6-methyl-3,4-dihydro-2H-pyran-5-carboxylate?
The canonical SMILES for methyl 6-methyl-3,4-dihydro-2H-pyran-5-carboxylate is COC(=O)C1=C(C)OCCC1.
What is the InChIKey of methyl 6-methyl-3,4-dihydro-2H-pyran-5-carboxylate?
The InChIKey is GPYBLZCROOSNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-6-7(8(9)10-2)4-3-5-11-6/h3-5H2,1-2H3.
What are the key properties of methyl 6-methyl-3,4-dihydro-2H-pyran-5-carboxylate?
methyl 6-methyl-3,4-dihydro-2H-pyran-5-carboxylate has a molecular weight of 156.18 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-3,4-dihydro-2H-pyran-5-carboxylate is sourced from PubChem (CID 14089449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).