methyl (2R)-4-methyl-3,6-dihydro-2H-pyran-2-carboxylate

C8H12O3 — CID 67905106

IUPACmethyl (2R)-4-methyl-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCOC(=O)[C@H]1CC(C)=CCO1
InChIInChI=1S/C8H12O3/c1-6-3-4-11-7(5-6)8(9)10-2/h3,7H,4-5H2,1-2H3/t7-/m1/s1
InChIKeyQRVWCQUZQVIMFD-SSDOTTSWSA-N
MW156.18 g/mol
LogP0.89
Rot. Bonds1

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

methyl (2R)-4-methyl-3,6-dihydro-2H-pyran-2-carboxylate (PubChem CID 67905106) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is methyl (2R)-4-methyl-3,6-dihydro-2H-pyran-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-4-methyl-3,6-dihydro-2H-pyran-2-carboxylate
PubChem CID67905106
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Namemethyl (2R)-4-methyl-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCOC(=O)[C@H]1CC(C)=CCO1
InChIInChI=1S/C8H12O3/c1-6-3-4-11-7(5-6)8(9)10-2/h3,7H,4-5H2,1-2H3/t7-/m1/s1
InChIKeyQRVWCQUZQVIMFD-SSDOTTSWSA-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'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-4-methyl-3,6-dihydro-2H-pyran-2-carboxylate?
The IUPAC name of methyl (2R)-4-methyl-3,6-dihydro-2H-pyran-2-carboxylate (CID 67905106) is methyl (2R)-4-methyl-3,6-dihydro-2H-pyran-2-carboxylate.
What is the SMILES notation for methyl (2R)-4-methyl-3,6-dihydro-2H-pyran-2-carboxylate?
The canonical SMILES for methyl (2R)-4-methyl-3,6-dihydro-2H-pyran-2-carboxylate is COC(=O)[C@H]1CC(C)=CCO1.
What is the InChIKey of methyl (2R)-4-methyl-3,6-dihydro-2H-pyran-2-carboxylate?
The InChIKey is QRVWCQUZQVIMFD-SSDOTTSWSA-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/t7-/m1/s1.
What are the key properties of methyl (2R)-4-methyl-3,6-dihydro-2H-pyran-2-carboxylate?
methyl (2R)-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 (2R)-4-methyl-3,6-dihydro-2H-pyran-2-carboxylate is sourced from PubChem (CID 67905106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).