methyl (3R)-2-[(2R)-1-acetyloxypropan-2-yl]-3,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxylate

C14H22O5 — CID 90352425

IUPACmethyl (3R)-2-[(2R)-1-acetyloxypropan-2-yl]-3,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=CC(C)[C@@H](C)C([C@H](C)COC(C)=O)O1
InChIInChI=1S/C14H22O5/c1-8-6-12(14(16)17-5)19-13(10(8)3)9(2)7-18-11(4)15/h6,8-10,13H,7H2,1-5H3/t8?,9-,10-,13?/m1/s1
InChIKeyKFMJDADWZVNLHQ-LIVJGEBJSA-N
MW270.32 g/mol
LogP1.91
Rot. Bonds4

About methyl (3R)-2-[(2R)-1-acetyloxypropan-2-yl]-3,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxylate

methyl (3R)-2-[(2R)-1-acetyloxypropan-2-yl]-3,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxylate (PubChem CID 90352425) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is methyl (3R)-2-[(2R)-1-acetyloxypropan-2-yl]-3,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-2-[(2R)-1-acetyloxypropan-2-yl]-3,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxylate
PubChem CID90352425
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Namemethyl (3R)-2-[(2R)-1-acetyloxypropan-2-yl]-3,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=CC(C)[C@@H](C)C([C@H](C)COC(C)=O)O1
InChIInChI=1S/C14H22O5/c1-8-6-12(14(16)17-5)19-13(10(8)3)9(2)7-18-11(4)15/h6,8-10,13H,7H2,1-5H3/t8?,9-,10-,13?/m1/s1
InChIKeyKFMJDADWZVNLHQ-LIVJGEBJSA-N
XLogP1.91
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-2-[(2R)-1-acetyloxypropan-2-yl]-3,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxylate?
The IUPAC name of methyl (3R)-2-[(2R)-1-acetyloxypropan-2-yl]-3,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxylate (CID 90352425) is methyl (3R)-2-[(2R)-1-acetyloxypropan-2-yl]-3,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxylate.
What is the SMILES notation for methyl (3R)-2-[(2R)-1-acetyloxypropan-2-yl]-3,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxylate?
The canonical SMILES for methyl (3R)-2-[(2R)-1-acetyloxypropan-2-yl]-3,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxylate is COC(=O)C1=CC(C)[C@@H](C)C([C@H](C)COC(C)=O)O1.
What is the InChIKey of methyl (3R)-2-[(2R)-1-acetyloxypropan-2-yl]-3,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxylate?
The InChIKey is KFMJDADWZVNLHQ-LIVJGEBJSA-N. The full InChI is InChI=1S/C14H22O5/c1-8-6-12(14(16)17-5)19-13(10(8)3)9(2)7-18-11(4)15/h6,8-10,13H,7H2,1-5H3/t8?,9-,10-,13?/m1/s1.
What are the key properties of methyl (3R)-2-[(2R)-1-acetyloxypropan-2-yl]-3,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxylate?
methyl (3R)-2-[(2R)-1-acetyloxypropan-2-yl]-3,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxylate has a molecular weight of 270.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-2-[(2R)-1-acetyloxypropan-2-yl]-3,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxylate is sourced from PubChem (CID 90352425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).