[(2S,6R)-2-(cyclopropylmethoxy)-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate

C15H22O5 — CID 53305272

IUPAC[(2S,6R)-2-(cyclopropylmethoxy)-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC[C@H]1O[C@H](OCC2CC2)C=CC1=O
InChIInChI=1S/C15H22O5/c1-15(2,3)14(17)19-9-12-11(16)6-7-13(20-12)18-8-10-4-5-10/h6-7,10,12-13H,4-5,8-9H2,1-3H3/t12-,13+/m1/s1
InChIKeyVDARDMILWJACHZ-OLZOCXBDSA-N
MW282.34 g/mol
LogP1.85
Rot. Bonds5

About [(2S,6R)-2-(cyclopropylmethoxy)-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate

[(2S,6R)-2-(cyclopropylmethoxy)-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate (PubChem CID 53305272) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is [(2S,6R)-2-(cyclopropylmethoxy)-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2S,6R)-2-(cyclopropylmethoxy)-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
PubChem CID53305272
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name[(2S,6R)-2-(cyclopropylmethoxy)-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC[C@H]1O[C@H](OCC2CC2)C=CC1=O
InChIInChI=1S/C15H22O5/c1-15(2,3)14(17)19-9-12-11(16)6-7-13(20-12)18-8-10-4-5-10/h6-7,10,12-13H,4-5,8-9H2,1-3H3/t12-,13+/m1/s1
InChIKeyVDARDMILWJACHZ-OLZOCXBDSA-N
XLogP1.85
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S,6R)-2-(cyclopropylmethoxy)-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2-(cyclopropylmethoxy)-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [(2S,6R)-2-(cyclopropylmethoxy)-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate (CID 53305272) is [(2S,6R)-2-(cyclopropylmethoxy)-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [(2S,6R)-2-(cyclopropylmethoxy)-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [(2S,6R)-2-(cyclopropylmethoxy)-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC[C@H]1O[C@H](OCC2CC2)C=CC1=O.
What is the InChIKey of [(2S,6R)-2-(cyclopropylmethoxy)-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is VDARDMILWJACHZ-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H22O5/c1-15(2,3)14(17)19-9-12-11(16)6-7-13(20-12)18-8-10-4-5-10/h6-7,10,12-13H,4-5,8-9H2,1-3H3/t12-,13+/m1/s1.
What are the key properties of [(2S,6R)-2-(cyclopropylmethoxy)-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate?
[(2S,6R)-2-(cyclopropylmethoxy)-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 282.34 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2-(cyclopropylmethoxy)-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 53305272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).