(5R)-7a-methoxy-5-methyl-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-2-one

C9H14O4 — CID 11672799

IUPAC(5R)-7a-methoxy-5-methyl-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-2-one
SMILESCOC12CC[C@@H](C)OC1CC(=O)O2
InChIInChI=1S/C9H14O4/c1-6-3-4-9(11-2)7(12-6)5-8(10)13-9/h6-7H,3-5H2,1-2H3/t6-,7?,9?/m1/s1
InChIKeyNOLFEGQELSMXDF-SXJRXYEXSA-N
MW186.21 g/mol
LogP0.84
Rot. Bonds1

About (5R)-7a-methoxy-5-methyl-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-2-one

(5R)-7a-methoxy-5-methyl-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-2-one (PubChem CID 11672799) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is (5R)-7a-methoxy-5-methyl-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-2-one.

Molecular Properties

Compound Name(5R)-7a-methoxy-5-methyl-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-2-one
PubChem CID11672799
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name(5R)-7a-methoxy-5-methyl-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-2-one
SMILESCOC12CC[C@@H](C)OC1CC(=O)O2
InChIInChI=1S/C9H14O4/c1-6-3-4-9(11-2)7(12-6)5-8(10)13-9/h6-7H,3-5H2,1-2H3/t6-,7?,9?/m1/s1
InChIKeyNOLFEGQELSMXDF-SXJRXYEXSA-N
XLogP0.84
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-7a-methoxy-5-methyl-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-2-one?
The IUPAC name of (5R)-7a-methoxy-5-methyl-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-2-one (CID 11672799) is (5R)-7a-methoxy-5-methyl-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-2-one.
What is the SMILES notation for (5R)-7a-methoxy-5-methyl-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-2-one?
The canonical SMILES for (5R)-7a-methoxy-5-methyl-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-2-one is COC12CC[C@@H](C)OC1CC(=O)O2.
What is the InChIKey of (5R)-7a-methoxy-5-methyl-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-2-one?
The InChIKey is NOLFEGQELSMXDF-SXJRXYEXSA-N. The full InChI is InChI=1S/C9H14O4/c1-6-3-4-9(11-2)7(12-6)5-8(10)13-9/h6-7H,3-5H2,1-2H3/t6-,7?,9?/m1/s1.
What are the key properties of (5R)-7a-methoxy-5-methyl-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-2-one?
(5R)-7a-methoxy-5-methyl-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-2-one has a molecular weight of 186.21 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7a-methoxy-5-methyl-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-2-one is sourced from PubChem (CID 11672799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).