(3aS,5R,7aR)-5-methyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one

C8H12O3 — CID 10997278

IUPAC(3aS,5R,7aR)-5-methyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one
SMILESC[C@@H]1CC[C@H]2OC(=O)C[C@@H]2O1
InChIInChI=1S/C8H12O3/c1-5-2-3-6-7(10-5)4-8(9)11-6/h5-7H,2-4H2,1H3/t5-,6-,7+/m1/s1
InChIKeyGTIFLBYFSGUSTJ-QYNIQEEDSA-N
MW156.18 g/mol
LogP0.87
Rot. Bonds

About (3aS,5R,7aR)-5-methyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one

(3aS,5R,7aR)-5-methyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one (PubChem CID 10997278) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (3aS,5R,7aR)-5-methyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one.

Molecular Properties

Compound Name(3aS,5R,7aR)-5-methyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one
PubChem CID10997278
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(3aS,5R,7aR)-5-methyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one
SMILESC[C@@H]1CC[C@H]2OC(=O)C[C@@H]2O1
InChIInChI=1S/C8H12O3/c1-5-2-3-6-7(10-5)4-8(9)11-6/h5-7H,2-4H2,1H3/t5-,6-,7+/m1/s1
InChIKeyGTIFLBYFSGUSTJ-QYNIQEEDSA-N
XLogP0.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aS,5R,7aR)-5-methyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one with MolForge

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Related Compounds

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4-methyloxetan-2-one;oxetan-2-one
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(4S)-5-methyl-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde
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Frequently Asked Questions

What is the IUPAC name of (3aS,5R,7aR)-5-methyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one?
The IUPAC name of (3aS,5R,7aR)-5-methyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one (CID 10997278) is (3aS,5R,7aR)-5-methyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one.
What is the SMILES notation for (3aS,5R,7aR)-5-methyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one?
The canonical SMILES for (3aS,5R,7aR)-5-methyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one is C[C@@H]1CC[C@H]2OC(=O)C[C@@H]2O1.
What is the InChIKey of (3aS,5R,7aR)-5-methyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one?
The InChIKey is GTIFLBYFSGUSTJ-QYNIQEEDSA-N. The full InChI is InChI=1S/C8H12O3/c1-5-2-3-6-7(10-5)4-8(9)11-6/h5-7H,2-4H2,1H3/t5-,6-,7+/m1/s1.
What are the key properties of (3aS,5R,7aR)-5-methyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one?
(3aS,5R,7aR)-5-methyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one has a molecular weight of 156.18 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,5R,7aR)-5-methyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one is sourced from PubChem (CID 10997278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).