dimethyl 3,4-dihydro-2H-pyran-5,6-dicarboxylate

C9H12O5 — CID 151611758

IUPACdimethyl 3,4-dihydro-2H-pyran-5,6-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)OCCC1
InChIInChI=1S/C9H12O5/c1-12-8(10)6-4-3-5-14-7(6)9(11)13-2/h3-5H2,1-2H3
InChIKeyQMQLZYZVGIALEE-UHFFFAOYSA-N
MW200.19 g/mol
LogP0.40
Rot. Bonds2

About dimethyl 3,4-dihydro-2H-pyran-5,6-dicarboxylate

dimethyl 3,4-dihydro-2H-pyran-5,6-dicarboxylate (PubChem CID 151611758) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is dimethyl 3,4-dihydro-2H-pyran-5,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3,4-dihydro-2H-pyran-5,6-dicarboxylate
PubChem CID151611758
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Namedimethyl 3,4-dihydro-2H-pyran-5,6-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)OCCC1
InChIInChI=1S/C9H12O5/c1-12-8(10)6-4-3-5-14-7(6)9(11)13-2/h3-5H2,1-2H3
InChIKeyQMQLZYZVGIALEE-UHFFFAOYSA-N
XLogP0.40
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 3,4-dihydro-2H-pyran-5,6-dicarboxylate?
The IUPAC name of dimethyl 3,4-dihydro-2H-pyran-5,6-dicarboxylate (CID 151611758) is dimethyl 3,4-dihydro-2H-pyran-5,6-dicarboxylate.
What is the SMILES notation for dimethyl 3,4-dihydro-2H-pyran-5,6-dicarboxylate?
The canonical SMILES for dimethyl 3,4-dihydro-2H-pyran-5,6-dicarboxylate is COC(=O)C1=C(C(=O)OC)OCCC1.
What is the InChIKey of dimethyl 3,4-dihydro-2H-pyran-5,6-dicarboxylate?
The InChIKey is QMQLZYZVGIALEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O5/c1-12-8(10)6-4-3-5-14-7(6)9(11)13-2/h3-5H2,1-2H3.
What are the key properties of dimethyl 3,4-dihydro-2H-pyran-5,6-dicarboxylate?
dimethyl 3,4-dihydro-2H-pyran-5,6-dicarboxylate has a molecular weight of 200.19 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3,4-dihydro-2H-pyran-5,6-dicarboxylate is sourced from PubChem (CID 151611758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).