(3aR,11aR)-3a,4,7,8,11,11a-hexahydro-[1,3]dioxolo[4,5-c][1,6]dioxecine-6,9-dione

C9H12O6 — CID 101027581

IUPAC(3aR,11aR)-3a,4,7,8,11,11a-hexahydro-[1,3]dioxolo[4,5-c][1,6]dioxecine-6,9-dione
SMILESO=C1CCC(=O)OC[C@H]2OCO[C@@H]2CO1
InChIInChI=1S/C9H12O6/c10-8-1-2-9(11)13-4-7-6(3-12-8)14-5-15-7/h6-7H,1-5H2/t6-,7-/m1/s1
InChIKeyGVLIYMQHXIASDW-RNFRBKRXSA-N
MW216.19 g/mol
LogP-0.39
Rot. Bonds

About (3aR,11aR)-3a,4,7,8,11,11a-hexahydro-[1,3]dioxolo[4,5-c][1,6]dioxecine-6,9-dione

(3aR,11aR)-3a,4,7,8,11,11a-hexahydro-[1,3]dioxolo[4,5-c][1,6]dioxecine-6,9-dione (PubChem CID 101027581) has the molecular formula C9H12O6 and a molecular weight of 216.19 g/mol. Its IUPAC name is (3aR,11aR)-3a,4,7,8,11,11a-hexahydro-[1,3]dioxolo[4,5-c][1,6]dioxecine-6,9-dione.

Molecular Properties

Compound Name(3aR,11aR)-3a,4,7,8,11,11a-hexahydro-[1,3]dioxolo[4,5-c][1,6]dioxecine-6,9-dione
PubChem CID101027581
Molecular FormulaC9H12O6
Molecular Weight216.19 g/mol
Exact Mass216.06
IUPAC Name(3aR,11aR)-3a,4,7,8,11,11a-hexahydro-[1,3]dioxolo[4,5-c][1,6]dioxecine-6,9-dione
SMILESO=C1CCC(=O)OC[C@H]2OCO[C@@H]2CO1
InChIInChI=1S/C9H12O6/c10-8-1-2-9(11)13-4-7-6(3-12-8)14-5-15-7/h6-7H,1-5H2/t6-,7-/m1/s1
InChIKeyGVLIYMQHXIASDW-RNFRBKRXSA-N
XLogP-0.39
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3aR,11aR)-3a,4,7,8,11,11a-hexahydro-[1,3]dioxolo[4,5-c][1,6]dioxecine-6,9-dione with MolForge

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Related Compounds

(1R,12R)-3,10,13,15-tetraoxabicyclo[10.3.0]pentadecane-4,9-dione
CID 101027582
(1S,10S,14S,23S)-12,12,25,25-tetramethyl-3,8,11,13,16,21,24,26-octaoxatricyclo[21.3.0.010,14]hexacosane-4,7,17,20-tetrone
CID 101078667
2-cyclohexyl-1,4-dioxecane-5,10-dione
CID 54163807
3,9-dioxabicyclo[9.2.2]pentadecane-4,8-dione
CID 69190780
7-iodo-6-methyl-1,5-dioxocan-2-one
CID 10423226
oxolane-2,5-dione;zinc
CID 159620051
6-hydroxyoxepan-2-one
CID 130130371
(6S)-6-methyloxepan-2-one
CID 14866717
4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
CID 141190397
1,6-dioxecane-2,5-dione;1,4-dioxocane-5,8-dione
CID 174988163
1,6-dioxacyclohexacosane-2,5-dione
CID 121270960
1,3-dioxacyclopentadecane-4,15-dione
CID 54430729

Frequently Asked Questions

What is the IUPAC name of (3aR,11aR)-3a,4,7,8,11,11a-hexahydro-[1,3]dioxolo[4,5-c][1,6]dioxecine-6,9-dione?
The IUPAC name of (3aR,11aR)-3a,4,7,8,11,11a-hexahydro-[1,3]dioxolo[4,5-c][1,6]dioxecine-6,9-dione (CID 101027581) is (3aR,11aR)-3a,4,7,8,11,11a-hexahydro-[1,3]dioxolo[4,5-c][1,6]dioxecine-6,9-dione.
What is the SMILES notation for (3aR,11aR)-3a,4,7,8,11,11a-hexahydro-[1,3]dioxolo[4,5-c][1,6]dioxecine-6,9-dione?
The canonical SMILES for (3aR,11aR)-3a,4,7,8,11,11a-hexahydro-[1,3]dioxolo[4,5-c][1,6]dioxecine-6,9-dione is O=C1CCC(=O)OC[C@H]2OCO[C@@H]2CO1.
What is the InChIKey of (3aR,11aR)-3a,4,7,8,11,11a-hexahydro-[1,3]dioxolo[4,5-c][1,6]dioxecine-6,9-dione?
The InChIKey is GVLIYMQHXIASDW-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H12O6/c10-8-1-2-9(11)13-4-7-6(3-12-8)14-5-15-7/h6-7H,1-5H2/t6-,7-/m1/s1.
What are the key properties of (3aR,11aR)-3a,4,7,8,11,11a-hexahydro-[1,3]dioxolo[4,5-c][1,6]dioxecine-6,9-dione?
(3aR,11aR)-3a,4,7,8,11,11a-hexahydro-[1,3]dioxolo[4,5-c][1,6]dioxecine-6,9-dione has a molecular weight of 216.19 g/mol, XLogP of -0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,11aR)-3a,4,7,8,11,11a-hexahydro-[1,3]dioxolo[4,5-c][1,6]dioxecine-6,9-dione is sourced from PubChem (CID 101027581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).