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

C7H10O3 — CID 10012000

IUPACmethyl 3,4-dihydro-2H-pyran-5-carboxylate
SMILESCOC(=O)C1=COCCC1
InChIInChI=1S/C7H10O3/c1-9-7(8)6-3-2-4-10-5-6/h5H,2-4H2,1H3
InChIKeySAZSEFKEENKBKK-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.85
Rot. Bonds1

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

methyl 3,4-dihydro-2H-pyran-5-carboxylate (PubChem CID 10012000) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is methyl 3,4-dihydro-2H-pyran-5-carboxylate.

Molecular Properties

Compound Namemethyl 3,4-dihydro-2H-pyran-5-carboxylate
PubChem CID10012000
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Namemethyl 3,4-dihydro-2H-pyran-5-carboxylate
SMILESCOC(=O)C1=COCCC1
InChIInChI=1S/C7H10O3/c1-9-7(8)6-3-2-4-10-5-6/h5H,2-4H2,1H3
InChIKeySAZSEFKEENKBKK-UHFFFAOYSA-N
XLogP0.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3,4-dihydro-2H-pyran-5-carboxylate?
The IUPAC name of methyl 3,4-dihydro-2H-pyran-5-carboxylate (CID 10012000) is methyl 3,4-dihydro-2H-pyran-5-carboxylate.
What is the SMILES notation for methyl 3,4-dihydro-2H-pyran-5-carboxylate?
The canonical SMILES for methyl 3,4-dihydro-2H-pyran-5-carboxylate is COC(=O)C1=COCCC1.
What is the InChIKey of methyl 3,4-dihydro-2H-pyran-5-carboxylate?
The InChIKey is SAZSEFKEENKBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-9-7(8)6-3-2-4-10-5-6/h5H,2-4H2,1H3.
What are the key properties of methyl 3,4-dihydro-2H-pyran-5-carboxylate?
methyl 3,4-dihydro-2H-pyran-5-carboxylate has a molecular weight of 142.15 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,4-dihydro-2H-pyran-5-carboxylate is sourced from PubChem (CID 10012000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).