(3aR,6S)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2',7-dione

C11H14O6 — CID 58766047

IUPAC(3aR,6S)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2',7-dione
SMILESCC1(C)OC2C(=O)[C@@]3(CCC(=O)O3)OC[C@H]2O1
InChIInChI=1S/C11H14O6/c1-10(2)15-6-5-14-11(4-3-7(12)16-11)9(13)8(6)17-10/h6,8H,3-5H2,1-2H3/t6-,8?,11+/m1/s1
InChIKeyJAEVIOHPDBRJLJ-TVBDUNCESA-N
MW242.23 g/mol
LogP0.14
Rot. Bonds

About (3aR,6S)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2',7-dione

(3aR,6S)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2',7-dione (PubChem CID 58766047) has the molecular formula C11H14O6 and a molecular weight of 242.23 g/mol. Its IUPAC name is (3aR,6S)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2',7-dione.

Molecular Properties

Compound Name(3aR,6S)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2',7-dione
PubChem CID58766047
Molecular FormulaC11H14O6
Molecular Weight242.23 g/mol
Exact Mass242.08
IUPAC Name(3aR,6S)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2',7-dione
SMILESCC1(C)OC2C(=O)[C@@]3(CCC(=O)O3)OC[C@H]2O1
InChIInChI=1S/C11H14O6/c1-10(2)15-6-5-14-11(4-3-7(12)16-11)9(13)8(6)17-10/h6,8H,3-5H2,1-2H3/t6-,8?,11+/m1/s1
InChIKeyJAEVIOHPDBRJLJ-TVBDUNCESA-N
XLogP0.14
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3aR,6S)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2',7-dione with MolForge

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Related Compounds

2',2'-dimethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one
CID 20617452
(3'aR,5S)-3-acetyl-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione
CID 58766090
CID 162264970
CID 162264970
(3'aR,5S,7'aR)-N,N,2',2'-tetramethyl-2,7'-dioxospiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide
CID 11056113
(3aR,6S,7aR)-2,2-dimethyl-4'-(4-methylphenyl)spiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,6'-morpholine]-3',7-dione
CID 25177957
(3'aR,5S,7'aR)-2',2'-dimethyl-3-(4-methylsulfonylphenyl)spiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione
CID 101231522
(3'aR,5S,7'aR)-3-(3-iodo-4-methylphenyl)-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione
CID 11676942
(3'aR,5S,7'aR)-3-(3-ethylphenyl)-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione
CID 11667389
(6aS)-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
CID 143329157
5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one
CID 45157469
(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
6-(2-chloroethoxy)-6-(hydroxymethyl)-2,2-dimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-one
CID 22081769

Frequently Asked Questions

What is the IUPAC name of (3aR,6S)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2',7-dione?
The IUPAC name of (3aR,6S)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2',7-dione (CID 58766047) is (3aR,6S)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2',7-dione.
What is the SMILES notation for (3aR,6S)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2',7-dione?
The canonical SMILES for (3aR,6S)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2',7-dione is CC1(C)OC2C(=O)[C@@]3(CCC(=O)O3)OC[C@H]2O1.
What is the InChIKey of (3aR,6S)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2',7-dione?
The InChIKey is JAEVIOHPDBRJLJ-TVBDUNCESA-N. The full InChI is InChI=1S/C11H14O6/c1-10(2)15-6-5-14-11(4-3-7(12)16-11)9(13)8(6)17-10/h6,8H,3-5H2,1-2H3/t6-,8?,11+/m1/s1.
What are the key properties of (3aR,6S)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2',7-dione?
(3aR,6S)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2',7-dione has a molecular weight of 242.23 g/mol, XLogP of 0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2',7-dione is sourced from PubChem (CID 58766047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).