(3aR,6S,7R,7aR)-6-ethenyl-2,2,6,7-tetramethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-ol;(3aR,6S,7R,7aR)-6-ethenyl-2,2,6,7-tetramethyl-7,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-one

C24H38O8 — CID 159072245

IUPAC(3aR,6S,7R,7aR)-6-ethenyl-2,2,6,7-tetramethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-ol;(3aR,6S,7R,7aR)-6-ethenyl-2,2,6,7-tetramethyl-7,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-one
SMILESC=C[C@]1(C)OC(=O)[C@@H]2OC(C)(C)O[C@@H]2[C@H]1C.C=C[C@]1(C)OC(O)[C@@H]2OC(C)(C)O[C@@H]2[C@H]1C
InChIInChI=1S/C12H20O4.C12H18O4/c2*1-6-12(5)7(2)8-9(10(13)16-12)15-11(3,4)14-8/h6-10,13H,1H2,2-5H3;6-9H,1H2,2-5H3/t7-,8-,9-,10?,12+;7-,8-,9-,12+/m11/s1
InChIKeyJZUOGBUEALPOMX-SLIIBPPBSA-N
MW454.56 g/mol
LogP3.08
Rot. Bonds2

About (3aR,6S,7R,7aR)-6-ethenyl-2,2,6,7-tetramethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-ol;(3aR,6S,7R,7aR)-6-ethenyl-2,2,6,7-tetramethyl-7,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-one

(3aR,6S,7R,7aR)-6-ethenyl-2,2,6,7-tetramethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-ol;(3aR,6S,7R,7aR)-6-ethenyl-2,2,6,7-tetramethyl-7,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-one (PubChem CID 159072245) has the molecular formula C24H38O8 and a molecular weight of 454.56 g/mol. Its IUPAC name is (3aR,6S,7R,7aR)-6-ethenyl-2,2,6,7-tetramethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-ol;(3aR,6S,7R,7aR)-6-ethenyl-2,2,6,7-tetramethyl-7,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-one.

Molecular Properties

Compound Name(3aR,6S,7R,7aR)-6-ethenyl-2,2,6,7-tetramethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-ol;(3aR,6S,7R,7aR)-6-ethenyl-2,2,6,7-tetramethyl-7,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-one
PubChem CID159072245
Molecular FormulaC24H38O8
Molecular Weight454.56 g/mol
Exact Mass454.26
IUPAC Name(3aR,6S,7R,7aR)-6-ethenyl-2,2,6,7-tetramethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-ol;(3aR,6S,7R,7aR)-6-ethenyl-2,2,6,7-tetramethyl-7,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-one
SMILESC=C[C@]1(C)OC(=O)[C@@H]2OC(C)(C)O[C@@H]2[C@H]1C.C=C[C@]1(C)OC(O)[C@@H]2OC(C)(C)O[C@@H]2[C@H]1C
InChIInChI=1S/C12H20O4.C12H18O4/c2*1-6-12(5)7(2)8-9(10(13)16-12)15-11(3,4)14-8/h6-10,13H,1H2,2-5H3;6-9H,1H2,2-5H3/t7-,8-,9-,10?,12+;7-,8-,9-,12+/m11/s1
InChIKeyJZUOGBUEALPOMX-SLIIBPPBSA-N
XLogP3.08
TPSA92.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.56
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3aR,6S,7R,7aR)-6-ethenyl-2,2,6,7-tetramethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-ol;(3aR,6S,7R,7aR)-6-ethenyl-2,2,6,7-tetramethyl-7,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aR,6S,7R,7aR)-6-ethenyl-2,2,6,7-tetramethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-ol;(3aR,6S,7R,7aR)-6-ethenyl-2,2,6,7-tetramethyl-7,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-one?
The IUPAC name of (3aR,6S,7R,7aR)-6-ethenyl-2,2,6,7-tetramethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-ol;(3aR,6S,7R,7aR)-6-ethenyl-2,2,6,7-tetramethyl-7,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-one (CID 159072245) is (3aR,6S,7R,7aR)-6-ethenyl-2,2,6,7-tetramethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-ol;(3aR,6S,7R,7aR)-6-ethenyl-2,2,6,7-tetramethyl-7,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-one.
What is the SMILES notation for (3aR,6S,7R,7aR)-6-ethenyl-2,2,6,7-tetramethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-ol;(3aR,6S,7R,7aR)-6-ethenyl-2,2,6,7-tetramethyl-7,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-one?
The canonical SMILES for (3aR,6S,7R,7aR)-6-ethenyl-2,2,6,7-tetramethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-ol;(3aR,6S,7R,7aR)-6-ethenyl-2,2,6,7-tetramethyl-7,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-one is C=C[C@]1(C)OC(=O)[C@@H]2OC(C)(C)O[C@@H]2[C@H]1C.C=C[C@]1(C)OC(O)[C@@H]2OC(C)(C)O[C@@H]2[C@H]1C.
What is the InChIKey of (3aR,6S,7R,7aR)-6-ethenyl-2,2,6,7-tetramethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-ol;(3aR,6S,7R,7aR)-6-ethenyl-2,2,6,7-tetramethyl-7,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-one?
The InChIKey is JZUOGBUEALPOMX-SLIIBPPBSA-N. The full InChI is InChI=1S/C12H20O4.C12H18O4/c2*1-6-12(5)7(2)8-9(10(13)16-12)15-11(3,4)14-8/h6-10,13H,1H2,2-5H3;6-9H,1H2,2-5H3/t7-,8-,9-,10?,12+;7-,8-,9-,12+/m11/s1.
What are the key properties of (3aR,6S,7R,7aR)-6-ethenyl-2,2,6,7-tetramethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-ol;(3aR,6S,7R,7aR)-6-ethenyl-2,2,6,7-tetramethyl-7,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-one?
(3aR,6S,7R,7aR)-6-ethenyl-2,2,6,7-tetramethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-ol;(3aR,6S,7R,7aR)-6-ethenyl-2,2,6,7-tetramethyl-7,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-one has a molecular weight of 454.56 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,7R,7aR)-6-ethenyl-2,2,6,7-tetramethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-ol;(3aR,6S,7R,7aR)-6-ethenyl-2,2,6,7-tetramethyl-7,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-one is sourced from PubChem (CID 159072245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).