(4aR,8aS)-2-methyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran

C9H16O2 — CID 10034854

IUPAC(4aR,8aS)-2-methyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran
SMILESCC1CC[C@H]2CCCO[C@H]2O1
InChIInChI=1S/C9H16O2/c1-7-4-5-8-3-2-6-10-9(8)11-7/h7-9H,2-6H2,1H3/t7?,8-,9+/m1/s1
InChIKeyUWUXVXMTKZPMAY-ASODMVGOSA-N
MW156.22 g/mol
LogP1.94
Rot. Bonds

About (4aR,8aS)-2-methyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran

(4aR,8aS)-2-methyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran (PubChem CID 10034854) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (4aR,8aS)-2-methyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran.

Molecular Properties

Compound Name(4aR,8aS)-2-methyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran
PubChem CID10034854
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(4aR,8aS)-2-methyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran
SMILESCC1CC[C@H]2CCCO[C@H]2O1
InChIInChI=1S/C9H16O2/c1-7-4-5-8-3-2-6-10-9(8)11-7/h7-9H,2-6H2,1H3/t7?,8-,9+/m1/s1
InChIKeyUWUXVXMTKZPMAY-ASODMVGOSA-N
XLogP1.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aR,8aS)-2-methyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran?
The IUPAC name of (4aR,8aS)-2-methyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran (CID 10034854) is (4aR,8aS)-2-methyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran.
What is the SMILES notation for (4aR,8aS)-2-methyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran?
The canonical SMILES for (4aR,8aS)-2-methyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran is CC1CC[C@H]2CCCO[C@H]2O1.
What is the InChIKey of (4aR,8aS)-2-methyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran?
The InChIKey is UWUXVXMTKZPMAY-ASODMVGOSA-N. The full InChI is InChI=1S/C9H16O2/c1-7-4-5-8-3-2-6-10-9(8)11-7/h7-9H,2-6H2,1H3/t7?,8-,9+/m1/s1.
What are the key properties of (4aR,8aS)-2-methyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran?
(4aR,8aS)-2-methyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran has a molecular weight of 156.22 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aS)-2-methyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran is sourced from PubChem (CID 10034854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).