(2R)-4-methoxy-2-[(2R,4S)-4-methyl-6-oxoheptan-2-yl]-2,3-dihydropyran-6-one

C14H22O4 — CID 146683654

IUPAC(2R)-4-methoxy-2-[(2R,4S)-4-methyl-6-oxoheptan-2-yl]-2,3-dihydropyran-6-one
SMILESCOC1=CC(=O)O[C@@H]([C@H](C)C[C@H](C)CC(C)=O)C1
InChIInChI=1S/C14H22O4/c1-9(6-11(3)15)5-10(2)13-7-12(17-4)8-14(16)18-13/h8-10,13H,5-7H2,1-4H3/t9-,10+,13+/m0/s1
InChIKeyQUILGFVARLSNLK-OPQQBVKSSA-N
MW254.33 g/mol
LogP2.47
Rot. Bonds6

About (2R)-4-methoxy-2-[(2R,4S)-4-methyl-6-oxoheptan-2-yl]-2,3-dihydropyran-6-one

(2R)-4-methoxy-2-[(2R,4S)-4-methyl-6-oxoheptan-2-yl]-2,3-dihydropyran-6-one (PubChem CID 146683654) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is (2R)-4-methoxy-2-[(2R,4S)-4-methyl-6-oxoheptan-2-yl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-4-methoxy-2-[(2R,4S)-4-methyl-6-oxoheptan-2-yl]-2,3-dihydropyran-6-one
PubChem CID146683654
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name(2R)-4-methoxy-2-[(2R,4S)-4-methyl-6-oxoheptan-2-yl]-2,3-dihydropyran-6-one
SMILESCOC1=CC(=O)O[C@@H]([C@H](C)C[C@H](C)CC(C)=O)C1
InChIInChI=1S/C14H22O4/c1-9(6-11(3)15)5-10(2)13-7-12(17-4)8-14(16)18-13/h8-10,13H,5-7H2,1-4H3/t9-,10+,13+/m0/s1
InChIKeyQUILGFVARLSNLK-OPQQBVKSSA-N
XLogP2.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-methoxy-2-[(2R,4S)-4-methyl-6-oxoheptan-2-yl]-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-4-methoxy-2-[(2R,4S)-4-methyl-6-oxoheptan-2-yl]-2,3-dihydropyran-6-one (CID 146683654) is (2R)-4-methoxy-2-[(2R,4S)-4-methyl-6-oxoheptan-2-yl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-4-methoxy-2-[(2R,4S)-4-methyl-6-oxoheptan-2-yl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-4-methoxy-2-[(2R,4S)-4-methyl-6-oxoheptan-2-yl]-2,3-dihydropyran-6-one is COC1=CC(=O)O[C@@H]([C@H](C)C[C@H](C)CC(C)=O)C1.
What is the InChIKey of (2R)-4-methoxy-2-[(2R,4S)-4-methyl-6-oxoheptan-2-yl]-2,3-dihydropyran-6-one?
The InChIKey is QUILGFVARLSNLK-OPQQBVKSSA-N. The full InChI is InChI=1S/C14H22O4/c1-9(6-11(3)15)5-10(2)13-7-12(17-4)8-14(16)18-13/h8-10,13H,5-7H2,1-4H3/t9-,10+,13+/m0/s1.
What are the key properties of (2R)-4-methoxy-2-[(2R,4S)-4-methyl-6-oxoheptan-2-yl]-2,3-dihydropyran-6-one?
(2R)-4-methoxy-2-[(2R,4S)-4-methyl-6-oxoheptan-2-yl]-2,3-dihydropyran-6-one has a molecular weight of 254.33 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methoxy-2-[(2R,4S)-4-methyl-6-oxoheptan-2-yl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 146683654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).