2-[(3aR,6R,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]ethanol

C11H20O5 — CID 139251392

IUPAC2-[(3aR,6R,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]ethanol
SMILESCO[C@@H]1OC[C@H]2OC(C)(C)O[C@H]2[C@H]1CCO
InChIInChI=1S/C11H20O5/c1-11(2)15-8-6-14-10(13-3)7(4-5-12)9(8)16-11/h7-10,12H,4-6H2,1-3H3/t7-,8-,9+,10-/m1/s1
InChIKeyUXOKEEJNTFIMNJ-DOLQZWNJSA-N
MW232.28 g/mol
LogP0.51
Rot. Bonds3

About 2-[(3aR,6R,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]ethanol

2-[(3aR,6R,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]ethanol (PubChem CID 139251392) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[(3aR,6R,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]ethanol.

Molecular Properties

Compound Name2-[(3aR,6R,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]ethanol
PubChem CID139251392
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name2-[(3aR,6R,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]ethanol
SMILESCO[C@@H]1OC[C@H]2OC(C)(C)O[C@H]2[C@H]1CCO
InChIInChI=1S/C11H20O5/c1-11(2)15-8-6-14-10(13-3)7(4-5-12)9(8)16-11/h7-10,12H,4-6H2,1-3H3/t7-,8-,9+,10-/m1/s1
InChIKeyUXOKEEJNTFIMNJ-DOLQZWNJSA-N
XLogP0.51
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3aR,6R,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3aR,6R,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]ethanol?
The IUPAC name of 2-[(3aR,6R,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]ethanol (CID 139251392) is 2-[(3aR,6R,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]ethanol.
What is the SMILES notation for 2-[(3aR,6R,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]ethanol?
The canonical SMILES for 2-[(3aR,6R,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]ethanol is CO[C@@H]1OC[C@H]2OC(C)(C)O[C@H]2[C@H]1CCO.
What is the InChIKey of 2-[(3aR,6R,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]ethanol?
The InChIKey is UXOKEEJNTFIMNJ-DOLQZWNJSA-N. The full InChI is InChI=1S/C11H20O5/c1-11(2)15-8-6-14-10(13-3)7(4-5-12)9(8)16-11/h7-10,12H,4-6H2,1-3H3/t7-,8-,9+,10-/m1/s1.
What are the key properties of 2-[(3aR,6R,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]ethanol?
2-[(3aR,6R,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]ethanol has a molecular weight of 232.28 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,6R,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]ethanol is sourced from PubChem (CID 139251392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).