(2R,3'aR,7'aR)-2',2'-dibenzylspiro[1,4-dioxane-2,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one

C23H24O6 — CID 10524791

IUPAC(2R,3'aR,7'aR)-2',2'-dibenzylspiro[1,4-dioxane-2,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one
SMILESO=C1[C@@H]2OC(Cc3ccccc3)(Cc3ccccc3)O[C@@H]2CO[C@]12COCCO2
InChIInChI=1S/C23H24O6/c24-21-20-19(15-27-23(21)16-25-11-12-26-23)28-22(29-20,13-17-7-3-1-4-8-17)14-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2/t19-,20-,23-/m1/s1
InChIKeyXCVCDSUTJQEXFX-TXTKFYIRSA-N
MW396.44 g/mol
LogP2.29
Rot. Bonds4

About (2R,3'aR,7'aR)-2',2'-dibenzylspiro[1,4-dioxane-2,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one

(2R,3'aR,7'aR)-2',2'-dibenzylspiro[1,4-dioxane-2,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one (PubChem CID 10524791) has the molecular formula C23H24O6 and a molecular weight of 396.44 g/mol. Its IUPAC name is (2R,3'aR,7'aR)-2',2'-dibenzylspiro[1,4-dioxane-2,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one.

Molecular Properties

Compound Name(2R,3'aR,7'aR)-2',2'-dibenzylspiro[1,4-dioxane-2,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one
PubChem CID10524791
Molecular FormulaC23H24O6
Molecular Weight396.44 g/mol
Exact Mass396.16
IUPAC Name(2R,3'aR,7'aR)-2',2'-dibenzylspiro[1,4-dioxane-2,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one
SMILESO=C1[C@@H]2OC(Cc3ccccc3)(Cc3ccccc3)O[C@@H]2CO[C@]12COCCO2
InChIInChI=1S/C23H24O6/c24-21-20-19(15-27-23(21)16-25-11-12-26-23)28-22(29-20,13-17-7-3-1-4-8-17)14-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2/t19-,20-,23-/m1/s1
InChIKeyXCVCDSUTJQEXFX-TXTKFYIRSA-N
XLogP2.29
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R,3'aR,7'aR)-2',2'-dibenzylspiro[1,4-dioxane-2,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one with MolForge

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

Launch Full Analysis

Related Compounds

2-benzyl-N-methyl-1,4-dioxan-2-amine
CID 57226129
2-benzyl-1,4-dioxane-2-sulfonic acid
CID 91282898
(3R)-3-benzyl-3-methyloxolan-2-one
CID 10261923
2-benzyl-4-(chloromethyl)-2-ethyl-1,3-dioxolane
CID 82778660
2-(2-benzyl-1,3-dioxolan-2-yl)ethyl-triphenylphosphanium
CID 86746663
2-benzyl-2-(2-benzyloxiran-2-yl)oxirane
CID 174859791
[(2R)-2-benzyloxiran-2-yl]methanol
CID 15072879
2-[(2R)-2-benzyloxiran-2-yl]ethanamine
CID 151856778
2-(1-benzylcyclohexyl)-1,4-dioxane
CID 67727429
2-benzyl-5,8-dioxa-2-azaspiro[3.5]nonane
CID 138976884
3-benzyloxolan-3-ol
CID 63332039
methyl 1-[2-(2-benzyl-1,4-dioxan-2-yl)ethyl]-4-oxopiperidine-3-carboxylate
CID 57306380

Frequently Asked Questions

What is the IUPAC name of (2R,3'aR,7'aR)-2',2'-dibenzylspiro[1,4-dioxane-2,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one?
The IUPAC name of (2R,3'aR,7'aR)-2',2'-dibenzylspiro[1,4-dioxane-2,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one (CID 10524791) is (2R,3'aR,7'aR)-2',2'-dibenzylspiro[1,4-dioxane-2,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one.
What is the SMILES notation for (2R,3'aR,7'aR)-2',2'-dibenzylspiro[1,4-dioxane-2,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one?
The canonical SMILES for (2R,3'aR,7'aR)-2',2'-dibenzylspiro[1,4-dioxane-2,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one is O=C1[C@@H]2OC(Cc3ccccc3)(Cc3ccccc3)O[C@@H]2CO[C@]12COCCO2.
What is the InChIKey of (2R,3'aR,7'aR)-2',2'-dibenzylspiro[1,4-dioxane-2,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one?
The InChIKey is XCVCDSUTJQEXFX-TXTKFYIRSA-N. The full InChI is InChI=1S/C23H24O6/c24-21-20-19(15-27-23(21)16-25-11-12-26-23)28-22(29-20,13-17-7-3-1-4-8-17)14-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2/t19-,20-,23-/m1/s1.
What are the key properties of (2R,3'aR,7'aR)-2',2'-dibenzylspiro[1,4-dioxane-2,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one?
(2R,3'aR,7'aR)-2',2'-dibenzylspiro[1,4-dioxane-2,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one has a molecular weight of 396.44 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3'aR,7'aR)-2',2'-dibenzylspiro[1,4-dioxane-2,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one is sourced from PubChem (CID 10524791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).