4-methoxy-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one

C12H16O4 — CID 163064927

IUPAC4-methoxy-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one
SMILESCCCC1Cc2oc(=O)cc(OC)c2CO1
InChIInChI=1S/C12H16O4/c1-3-4-8-5-11-9(7-15-8)10(14-2)6-12(13)16-11/h6,8H,3-5,7H2,1-2H3
InChIKeyMTOZXGOYXQPCBP-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.89
Rot. Bonds3

About 4-methoxy-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one

4-methoxy-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one (PubChem CID 163064927) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-methoxy-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one.

Molecular Properties

Compound Name4-methoxy-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one
PubChem CID163064927
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name4-methoxy-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one
SMILESCCCC1Cc2oc(=O)cc(OC)c2CO1
InChIInChI=1S/C12H16O4/c1-3-4-8-5-11-9(7-15-8)10(14-2)6-12(13)16-11/h6,8H,3-5,7H2,1-2H3
InChIKeyMTOZXGOYXQPCBP-UHFFFAOYSA-N
XLogP1.89
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one?
The IUPAC name of 4-methoxy-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one (CID 163064927) is 4-methoxy-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one.
What is the SMILES notation for 4-methoxy-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one?
The canonical SMILES for 4-methoxy-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one is CCCC1Cc2oc(=O)cc(OC)c2CO1.
What is the InChIKey of 4-methoxy-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one?
The InChIKey is MTOZXGOYXQPCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-3-4-8-5-11-9(7-15-8)10(14-2)6-12(13)16-11/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 4-methoxy-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one?
4-methoxy-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one has a molecular weight of 224.26 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one is sourced from PubChem (CID 163064927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).