(4aR,6R,8S,8aR)-6-[(2S)-2,3-dimethoxypropyl]-8-methoxy-2,2,7,7-tetramethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine

C17H32O6 — CID 10903707

IUPAC(4aR,6R,8S,8aR)-6-[(2S)-2,3-dimethoxypropyl]-8-methoxy-2,2,7,7-tetramethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine
SMILESCOC[C@H](C[C@H]1O[C@@H]2COC(C)(C)O[C@@H]2[C@@H](OC)C1(C)C)OC
InChIInChI=1S/C17H32O6/c1-16(2)13(8-11(19-6)9-18-5)22-12-10-21-17(3,4)23-14(12)15(16)20-7/h11-15H,8-10H2,1-7H3/t11-,12+,13+,14-,15+/m0/s1
InChIKeyBWROHIPNEWQGIX-VYDRJRHOSA-N
MW332.44 g/mol
LogP2.00
Rot. Bonds6

About (4aR,6R,8S,8aR)-6-[(2S)-2,3-dimethoxypropyl]-8-methoxy-2,2,7,7-tetramethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine

(4aR,6R,8S,8aR)-6-[(2S)-2,3-dimethoxypropyl]-8-methoxy-2,2,7,7-tetramethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine (PubChem CID 10903707) has the molecular formula C17H32O6 and a molecular weight of 332.44 g/mol. Its IUPAC name is (4aR,6R,8S,8aR)-6-[(2S)-2,3-dimethoxypropyl]-8-methoxy-2,2,7,7-tetramethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine.

Molecular Properties

Compound Name(4aR,6R,8S,8aR)-6-[(2S)-2,3-dimethoxypropyl]-8-methoxy-2,2,7,7-tetramethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine
PubChem CID10903707
Molecular FormulaC17H32O6
Molecular Weight332.44 g/mol
Exact Mass332.22
IUPAC Name(4aR,6R,8S,8aR)-6-[(2S)-2,3-dimethoxypropyl]-8-methoxy-2,2,7,7-tetramethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine
SMILESCOC[C@H](C[C@H]1O[C@@H]2COC(C)(C)O[C@@H]2[C@@H](OC)C1(C)C)OC
InChIInChI=1S/C17H32O6/c1-16(2)13(8-11(19-6)9-18-5)22-12-10-21-17(3,4)23-14(12)15(16)20-7/h11-15H,8-10H2,1-7H3/t11-,12+,13+,14-,15+/m0/s1
InChIKeyBWROHIPNEWQGIX-VYDRJRHOSA-N
XLogP2.00
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4aR,6R,8S,8aR)-6-[(2S)-2,3-dimethoxypropyl]-8-methoxy-2,2,7,7-tetramethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine with MolForge

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Related Compounds

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CID 10870683
(4S,5R,6R)-4-[(2S)-3-methoxy-4-(2-methoxypropan-2-yloxy)butan-2-yl]-2,2,5-trimethyl-6-[(1R)-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]-1,3-dioxane
CID 134878393
(1R,3R,4S,5R,6S,8S,11R,12S,13R,14R)-4,5,6,12,13,14-hexamethoxy-11-(methoxymethyl)-7,10,15-trioxatricyclo[9.3.1.03,8]pentadecane
CID 49836679
(2S,3R,3'S,4S,4'S,4aR,5'R,6S,6'R,8aS)-2,3,3',4,4',5'-hexamethoxy-6'-(methoxymethyl)spiro[3,4,4a,5,8,8a-hexahydro-2H-pyrano[3,4-b]pyran-6,2'-oxane]
CID 49836680
2,6-Bis(2,4,4-trimethylpentyl)-4-[2-(2,4,4-trimethylpentyl)-1,3-dioxolan-4-yl]-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
CID 18695211
(4R,4aR,8aS)-2,6-bis(2,4,4-trimethylpentyl)-4-[(4R)-2-(2,4,4-trimethylpentyl)-1,3-dioxolan-4-yl]-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
CID 21969866
2-[(2R,3R)-5,5-dimethyl-2-(oxan-2-yloxy)octan-3-yl]oxyoxane
CID 57290216
7,13-Diethyl-15,16,17,18-tetramethyl-2,6,9,14-tetraoxatricyclo[10.2.2.25,8]octadecane
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(6R,8R,8aR)-6-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,7,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 59042859
(6R,8S,8aR)-6-[(3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 59042866
(4aS,6S,8aS)-6-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 59042894
(6R,8S,8aR)-6-[(2R,3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 59042906

Frequently Asked Questions

What is the IUPAC name of (4aR,6R,8S,8aR)-6-[(2S)-2,3-dimethoxypropyl]-8-methoxy-2,2,7,7-tetramethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine?
The IUPAC name of (4aR,6R,8S,8aR)-6-[(2S)-2,3-dimethoxypropyl]-8-methoxy-2,2,7,7-tetramethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine (CID 10903707) is (4aR,6R,8S,8aR)-6-[(2S)-2,3-dimethoxypropyl]-8-methoxy-2,2,7,7-tetramethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine.
What is the SMILES notation for (4aR,6R,8S,8aR)-6-[(2S)-2,3-dimethoxypropyl]-8-methoxy-2,2,7,7-tetramethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine?
The canonical SMILES for (4aR,6R,8S,8aR)-6-[(2S)-2,3-dimethoxypropyl]-8-methoxy-2,2,7,7-tetramethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine is COC[C@H](C[C@H]1O[C@@H]2COC(C)(C)O[C@@H]2[C@@H](OC)C1(C)C)OC.
What is the InChIKey of (4aR,6R,8S,8aR)-6-[(2S)-2,3-dimethoxypropyl]-8-methoxy-2,2,7,7-tetramethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine?
The InChIKey is BWROHIPNEWQGIX-VYDRJRHOSA-N. The full InChI is InChI=1S/C17H32O6/c1-16(2)13(8-11(19-6)9-18-5)22-12-10-21-17(3,4)23-14(12)15(16)20-7/h11-15H,8-10H2,1-7H3/t11-,12+,13+,14-,15+/m0/s1.
What are the key properties of (4aR,6R,8S,8aR)-6-[(2S)-2,3-dimethoxypropyl]-8-methoxy-2,2,7,7-tetramethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine?
(4aR,6R,8S,8aR)-6-[(2S)-2,3-dimethoxypropyl]-8-methoxy-2,2,7,7-tetramethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine has a molecular weight of 332.44 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,6R,8S,8aR)-6-[(2S)-2,3-dimethoxypropyl]-8-methoxy-2,2,7,7-tetramethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine is sourced from PubChem (CID 10903707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).