(3aS,5R,6R,7S,7aS)-6,7-dimethoxy-5-(methoxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran

C11H20O6 — CID 102504527

IUPAC(3aS,5R,6R,7S,7aS)-6,7-dimethoxy-5-(methoxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran
SMILESCOC[C@H]1O[C@H]2OC(C)O[C@H]2[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C11H20O6/c1-6-15-10-9(14-4)8(13-3)7(5-12-2)17-11(10)16-6/h6-11H,5H2,1-4H3/t6?,7-,8-,9+,10+,11-/m1/s1
InChIKeyCETPYLXYLWMKEZ-UQXNILSOSA-N
MW248.27 g/mol
LogP0.15
Rot. Bonds4

About (3aS,5R,6R,7S,7aS)-6,7-dimethoxy-5-(methoxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran

(3aS,5R,6R,7S,7aS)-6,7-dimethoxy-5-(methoxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran (PubChem CID 102504527) has the molecular formula C11H20O6 and a molecular weight of 248.27 g/mol. Its IUPAC name is (3aS,5R,6R,7S,7aS)-6,7-dimethoxy-5-(methoxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran.

Molecular Properties

Compound Name(3aS,5R,6R,7S,7aS)-6,7-dimethoxy-5-(methoxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran
PubChem CID102504527
Molecular FormulaC11H20O6
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name(3aS,5R,6R,7S,7aS)-6,7-dimethoxy-5-(methoxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran
SMILESCOC[C@H]1O[C@H]2OC(C)O[C@H]2[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C11H20O6/c1-6-15-10-9(14-4)8(13-3)7(5-12-2)17-11(10)16-6/h6-11H,5H2,1-4H3/t6?,7-,8-,9+,10+,11-/m1/s1
InChIKeyCETPYLXYLWMKEZ-UQXNILSOSA-N
XLogP0.15
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3aS,5R,6R,7S,7aS)-6,7-dimethoxy-5-(methoxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran with MolForge

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Related Compounds

(1R,3R,6R,8S,11R,13R,16R,18R,21R,23R,26R,28R,31R,33R,36S,38S,40S,42S,44S,46S,48S)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-5,10,15,20,25,30,35-heptakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane
CID 133126616
(2R,4R,5R)-3,4-dimethoxy-2-(methoxymethyl)-5-methyloxolane
CID 174068913
(3aS,5R,6R,6aS)-6-methoxy-5-(methoxymethyl)-2-phenyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 102504528
(2R,3R,4S,5S,6R)-2,3,4,5-tetramethoxy-6-(methoxymethyl)oxane
CID 12900878
CID 20741832
CID 20741832
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46R,47R,48S,49R)-37,39,41,43,45,47,49-heptamethoxy-5,10,15,20,25,30,35-heptakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,38,40,42,44,46,48-heptol
CID 15973770
[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,38R,40R,41S,42R,43S,44R,45S,46R,47S,48R,49S,50R,51S,52R,53S,54R,55S,56R)-40-(hydroxymethyl)-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecamethoxy-5,10,15,20,30,35-hexakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-25-yl]methanol
CID 10441604
[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,38R,40R,41S,42R,43S,44R,45S,46R,47R,48S,49S,50S,51S,52R,53R,54S,55S,56R)-40-(hydroxymethyl)-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecamethoxy-5,10,15,25,30,35-hexakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-20-yl]methanol
CID 15966972
[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-10,15,20,25,30,35-hexakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methanol
CID 10749018
(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol
CID 12903171
3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 91701485
(3R,5S,6S)-3-methoxy-2-(methoxymethyl)-4,5,6-trimethyloxane
CID 71166951

Frequently Asked Questions

What is the IUPAC name of (3aS,5R,6R,7S,7aS)-6,7-dimethoxy-5-(methoxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran?
The IUPAC name of (3aS,5R,6R,7S,7aS)-6,7-dimethoxy-5-(methoxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran (CID 102504527) is (3aS,5R,6R,7S,7aS)-6,7-dimethoxy-5-(methoxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran.
What is the SMILES notation for (3aS,5R,6R,7S,7aS)-6,7-dimethoxy-5-(methoxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran?
The canonical SMILES for (3aS,5R,6R,7S,7aS)-6,7-dimethoxy-5-(methoxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran is COC[C@H]1O[C@H]2OC(C)O[C@H]2[C@@H](OC)[C@@H]1OC.
What is the InChIKey of (3aS,5R,6R,7S,7aS)-6,7-dimethoxy-5-(methoxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran?
The InChIKey is CETPYLXYLWMKEZ-UQXNILSOSA-N. The full InChI is InChI=1S/C11H20O6/c1-6-15-10-9(14-4)8(13-3)7(5-12-2)17-11(10)16-6/h6-11H,5H2,1-4H3/t6?,7-,8-,9+,10+,11-/m1/s1.
What are the key properties of (3aS,5R,6R,7S,7aS)-6,7-dimethoxy-5-(methoxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran?
(3aS,5R,6R,7S,7aS)-6,7-dimethoxy-5-(methoxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran has a molecular weight of 248.27 g/mol, XLogP of 0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,5R,6R,7S,7aS)-6,7-dimethoxy-5-(methoxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran is sourced from PubChem (CID 102504527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).