propan-2-yl 4-hydroxy-6-methyl-2-oxopyran-3-carboxylate

C10H12O5 — CID 54724708

IUPACpropan-2-yl 4-hydroxy-6-methyl-2-oxopyran-3-carboxylate
SMILESCc1cc(O)c(C(=O)OC(C)C)c(=O)o1
InChIInChI=1S/C10H12O5/c1-5(2)14-9(12)8-7(11)4-6(3)15-10(8)13/h4-5,11H,1-3H3
InChIKeyKSLDBPBVACLVDV-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.22
Rot. Bonds2

About propan-2-yl 4-hydroxy-6-methyl-2-oxopyran-3-carboxylate

propan-2-yl 4-hydroxy-6-methyl-2-oxopyran-3-carboxylate (PubChem CID 54724708) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is propan-2-yl 4-hydroxy-6-methyl-2-oxopyran-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-hydroxy-6-methyl-2-oxopyran-3-carboxylate
PubChem CID54724708
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Namepropan-2-yl 4-hydroxy-6-methyl-2-oxopyran-3-carboxylate
SMILESCc1cc(O)c(C(=O)OC(C)C)c(=O)o1
InChIInChI=1S/C10H12O5/c1-5(2)14-9(12)8-7(11)4-6(3)15-10(8)13/h4-5,11H,1-3H3
InChIKeyKSLDBPBVACLVDV-UHFFFAOYSA-N
XLogP1.22
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-hydroxy-6-methyl-2-oxopyran-3-carboxylate?
The IUPAC name of propan-2-yl 4-hydroxy-6-methyl-2-oxopyran-3-carboxylate (CID 54724708) is propan-2-yl 4-hydroxy-6-methyl-2-oxopyran-3-carboxylate.
What is the SMILES notation for propan-2-yl 4-hydroxy-6-methyl-2-oxopyran-3-carboxylate?
The canonical SMILES for propan-2-yl 4-hydroxy-6-methyl-2-oxopyran-3-carboxylate is Cc1cc(O)c(C(=O)OC(C)C)c(=O)o1.
What is the InChIKey of propan-2-yl 4-hydroxy-6-methyl-2-oxopyran-3-carboxylate?
The InChIKey is KSLDBPBVACLVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-5(2)14-9(12)8-7(11)4-6(3)15-10(8)13/h4-5,11H,1-3H3.
What are the key properties of propan-2-yl 4-hydroxy-6-methyl-2-oxopyran-3-carboxylate?
propan-2-yl 4-hydroxy-6-methyl-2-oxopyran-3-carboxylate has a molecular weight of 212.20 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-hydroxy-6-methyl-2-oxopyran-3-carboxylate is sourced from PubChem (CID 54724708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).