(4aS,6R)-2-methoxy-4,6-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran

C11H20O3 — CID 144658267

IUPAC(4aS,6R)-2-methoxy-4,6-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
SMILESCOC1CC(C)[C@@H]2O[C@H](C)CCC2O1
InChIInChI=1S/C11H20O3/c1-7-6-10(12-3)14-9-5-4-8(2)13-11(7)9/h7-11H,4-6H2,1-3H3/t7?,8-,9?,10?,11+/m1/s1
InChIKeyFSRJRAPTTXEPRR-OBELEAIMSA-N
MW200.28 g/mol
LogP1.95
Rot. Bonds1

About (4aS,6R)-2-methoxy-4,6-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran

(4aS,6R)-2-methoxy-4,6-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran (PubChem CID 144658267) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (4aS,6R)-2-methoxy-4,6-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran.

Molecular Properties

Compound Name(4aS,6R)-2-methoxy-4,6-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
PubChem CID144658267
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(4aS,6R)-2-methoxy-4,6-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
SMILESCOC1CC(C)[C@@H]2O[C@H](C)CCC2O1
InChIInChI=1S/C11H20O3/c1-7-6-10(12-3)14-9-5-4-8(2)13-11(7)9/h7-11H,4-6H2,1-3H3/t7?,8-,9?,10?,11+/m1/s1
InChIKeyFSRJRAPTTXEPRR-OBELEAIMSA-N
XLogP1.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4aS,6R)-2-methoxy-4,6-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran?
The IUPAC name of (4aS,6R)-2-methoxy-4,6-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran (CID 144658267) is (4aS,6R)-2-methoxy-4,6-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran.
What is the SMILES notation for (4aS,6R)-2-methoxy-4,6-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran?
The canonical SMILES for (4aS,6R)-2-methoxy-4,6-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran is COC1CC(C)[C@@H]2O[C@H](C)CCC2O1.
What is the InChIKey of (4aS,6R)-2-methoxy-4,6-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran?
The InChIKey is FSRJRAPTTXEPRR-OBELEAIMSA-N. The full InChI is InChI=1S/C11H20O3/c1-7-6-10(12-3)14-9-5-4-8(2)13-11(7)9/h7-11H,4-6H2,1-3H3/t7?,8-,9?,10?,11+/m1/s1.
What are the key properties of (4aS,6R)-2-methoxy-4,6-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran?
(4aS,6R)-2-methoxy-4,6-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran has a molecular weight of 200.28 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,6R)-2-methoxy-4,6-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran is sourced from PubChem (CID 144658267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).