ethyl (2R)-4-oxo-2-propan-2-yl-3H-pyran-2-carboxylate

C11H16O4 — CID 100917859

IUPACethyl (2R)-4-oxo-2-propan-2-yl-3H-pyran-2-carboxylate
SMILESCCOC(=O)[C@]1(C(C)C)CC(=O)C=CO1
InChIInChI=1S/C11H16O4/c1-4-14-10(13)11(8(2)3)7-9(12)5-6-15-11/h5-6,8H,4,7H2,1-3H3/t11-/m1/s1
InChIKeyBMNYGOVIMCHGND-LLVKDONJSA-N
MW212.24 g/mol
LogP1.45
Rot. Bonds3

About ethyl (2R)-4-oxo-2-propan-2-yl-3H-pyran-2-carboxylate

ethyl (2R)-4-oxo-2-propan-2-yl-3H-pyran-2-carboxylate (PubChem CID 100917859) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is ethyl (2R)-4-oxo-2-propan-2-yl-3H-pyran-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-4-oxo-2-propan-2-yl-3H-pyran-2-carboxylate
PubChem CID100917859
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Nameethyl (2R)-4-oxo-2-propan-2-yl-3H-pyran-2-carboxylate
SMILESCCOC(=O)[C@]1(C(C)C)CC(=O)C=CO1
InChIInChI=1S/C11H16O4/c1-4-14-10(13)11(8(2)3)7-9(12)5-6-15-11/h5-6,8H,4,7H2,1-3H3/t11-/m1/s1
InChIKeyBMNYGOVIMCHGND-LLVKDONJSA-N
XLogP1.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

2H-Pyran-2-carboxylic acid, 3,4-dihydro-2-methyl-4-oxo-, ethyl ester
CID 10176409
2,2-diethyl 4-oxo-3,4-dihydro-2H-pyran-2,2-dicarboxylate
CID 12291014
ethyl (2S)-2-methyl-4-oxo-3H-pyran-2-carboxylate
CID 11805408
Methyl 2-Methyl-4-oxo-3,4-dihydro-2H-pyran-2-carboxylate
CID 11435183
methyl (2S)-2-methyl-4-oxo-3H-pyran-2-carboxylate
CID 92019696
ethyl (2S,3S)-2,3,5-trimethyl-4-oxo-3H-pyran-2-carboxylate
CID 134918321
tert-butyl (2R)-2-methyl-4-oxo-3H-pyran-2-carboxylate
CID 134948159
ethyl 4-oxo-2-propan-2-yl-3H-pyran-2-carboxylate
CID 9815729
butyl 2,3-dimethyl-4-oxo-3H-pyran-2-carboxylate
CID 21715466
2,3-dimethyl-4-oxo-3H-pyran-2-carboxylic acid
CID 69956601
Ethyl 2-propan-2-yl-3,4-dihydropyran-2-carboxylate
CID 122700693
ethyl (2S)-2-cyclopropyl-4-oxo-3H-pyran-2-carboxylate
CID 124085932

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-4-oxo-2-propan-2-yl-3H-pyran-2-carboxylate?
The IUPAC name of ethyl (2R)-4-oxo-2-propan-2-yl-3H-pyran-2-carboxylate (CID 100917859) is ethyl (2R)-4-oxo-2-propan-2-yl-3H-pyran-2-carboxylate.
What is the SMILES notation for ethyl (2R)-4-oxo-2-propan-2-yl-3H-pyran-2-carboxylate?
The canonical SMILES for ethyl (2R)-4-oxo-2-propan-2-yl-3H-pyran-2-carboxylate is CCOC(=O)[C@]1(C(C)C)CC(=O)C=CO1.
What is the InChIKey of ethyl (2R)-4-oxo-2-propan-2-yl-3H-pyran-2-carboxylate?
The InChIKey is BMNYGOVIMCHGND-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16O4/c1-4-14-10(13)11(8(2)3)7-9(12)5-6-15-11/h5-6,8H,4,7H2,1-3H3/t11-/m1/s1.
What are the key properties of ethyl (2R)-4-oxo-2-propan-2-yl-3H-pyran-2-carboxylate?
ethyl (2R)-4-oxo-2-propan-2-yl-3H-pyran-2-carboxylate has a molecular weight of 212.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-4-oxo-2-propan-2-yl-3H-pyran-2-carboxylate is sourced from PubChem (CID 100917859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).