4-methoxy-6-[(2S,5R)-2-methoxy-5-propyloxolan-2-yl]pyran-2-one

C14H20O5 — CID 146683999

IUPAC4-methoxy-6-[(2S,5R)-2-methoxy-5-propyloxolan-2-yl]pyran-2-one
SMILESCCC[C@@H]1CC[C@@](OC)(c2cc(OC)cc(=O)o2)O1
InChIInChI=1S/C14H20O5/c1-4-5-10-6-7-14(17-3,19-10)12-8-11(16-2)9-13(15)18-12/h8-10H,4-7H2,1-3H3/t10-,14+/m1/s1
InChIKeyJARSXHJNYYXQHS-YGRLFVJLSA-N
MW268.31 g/mol
LogP2.43
Rot. Bonds5

About 4-methoxy-6-[(2S,5R)-2-methoxy-5-propyloxolan-2-yl]pyran-2-one

4-methoxy-6-[(2S,5R)-2-methoxy-5-propyloxolan-2-yl]pyran-2-one (PubChem CID 146683999) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-methoxy-6-[(2S,5R)-2-methoxy-5-propyloxolan-2-yl]pyran-2-one.

Molecular Properties

Compound Name4-methoxy-6-[(2S,5R)-2-methoxy-5-propyloxolan-2-yl]pyran-2-one
PubChem CID146683999
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name4-methoxy-6-[(2S,5R)-2-methoxy-5-propyloxolan-2-yl]pyran-2-one
SMILESCCC[C@@H]1CC[C@@](OC)(c2cc(OC)cc(=O)o2)O1
InChIInChI=1S/C14H20O5/c1-4-5-10-6-7-14(17-3,19-10)12-8-11(16-2)9-13(15)18-12/h8-10H,4-7H2,1-3H3/t10-,14+/m1/s1
InChIKeyJARSXHJNYYXQHS-YGRLFVJLSA-N
XLogP2.43
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2E,3S,4S,5R)-4-acetyloxy-2-hexa-2,4-diynylidene-1,10-dioxaspiro[4.5]decan-3-yl] acetate
CID 21726159
Xylariaopyrone D
CID 146684000
Xylariaopyrone E
CID 170988714
Xylariaopyrone F
CID 170988716
(2Z)-2-(2,4-Hexadiynylidene)-3,4-diacetoxy-1,6-dioxaspiro(4,5)decane
CID 5806109
[(2Z,3S,4S,5R)-4-acetyloxy-2-hexa-2,4-diynylidene-1,10-dioxaspiro[4.5]decan-3-yl] acetate
CID 15736703
[(8Z,12R)-1,6-dioxaspiro[4.7]dodec-8-en-12-yl] acetate
CID 134858630
ethyl (2E)-2-[(4R)-4-[3-(2-hexyl-1,3-dioxolan-2-yl)propyl]-2,2-dimethyl-1,3-dioxan-5-ylidene]acetate
CID 134971658
[(2Z,3R,4R,5R)-4-acetyloxy-2-hexa-2,4-diynylidene-1,10-dioxaspiro[4.5]decan-3-yl] acetate
CID 168327563
(4-Acetyloxy-2-hexa-2,4-diynylidene-1,10-dioxaspiro[4.5]decan-3-yl) acetate
CID 318602
methyl (2E)-2-(1,10-dioxaspiro[4.5]decan-2-ylidene)acetate
CID 10878465
methyl (2Z)-2-(1,10-dioxaspiro[4.5]decan-2-ylidene)acetate
CID 11806003

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[(2S,5R)-2-methoxy-5-propyloxolan-2-yl]pyran-2-one?
The IUPAC name of 4-methoxy-6-[(2S,5R)-2-methoxy-5-propyloxolan-2-yl]pyran-2-one (CID 146683999) is 4-methoxy-6-[(2S,5R)-2-methoxy-5-propyloxolan-2-yl]pyran-2-one.
What is the SMILES notation for 4-methoxy-6-[(2S,5R)-2-methoxy-5-propyloxolan-2-yl]pyran-2-one?
The canonical SMILES for 4-methoxy-6-[(2S,5R)-2-methoxy-5-propyloxolan-2-yl]pyran-2-one is CCC[C@@H]1CC[C@@](OC)(c2cc(OC)cc(=O)o2)O1.
What is the InChIKey of 4-methoxy-6-[(2S,5R)-2-methoxy-5-propyloxolan-2-yl]pyran-2-one?
The InChIKey is JARSXHJNYYXQHS-YGRLFVJLSA-N. The full InChI is InChI=1S/C14H20O5/c1-4-5-10-6-7-14(17-3,19-10)12-8-11(16-2)9-13(15)18-12/h8-10H,4-7H2,1-3H3/t10-,14+/m1/s1.
What are the key properties of 4-methoxy-6-[(2S,5R)-2-methoxy-5-propyloxolan-2-yl]pyran-2-one?
4-methoxy-6-[(2S,5R)-2-methoxy-5-propyloxolan-2-yl]pyran-2-one has a molecular weight of 268.31 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[(2S,5R)-2-methoxy-5-propyloxolan-2-yl]pyran-2-one is sourced from PubChem (CID 146683999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).