2-(methoxymethyl)-5-[[6-[methoxy(2-propan-2-yloxypropan-2-ylperoxy)methyl]-5-methyl-4-(2-methyl-2-propan-2-yloxypropoxy)-3-(2-propan-2-yloxypropan-2-yloxy)oxan-2-yl]methoxymethyl]-4-(2-methyl-2-propan-2-yloxypropoxy)-3-(2-propan-2-yloxypropan-2-yloxy)-6-[2-propan-2-yloxypropan-2-yloxy(2-propan-2-yloxypropan-2-ylperoxy)methyl]oxane

C62H122O21 — CID 22082133

IUPAC2-(methoxymethyl)-5-[[6-[methoxy(2-propan-2-yloxypropan-2-ylperoxy)methyl]-5-methyl-4-(2-methyl-2-propan-2-yloxypropoxy)-3-(2-propan-2-yloxypropan-2-yloxy)oxan-2-yl]methoxymethyl]-4-(2-methyl-2-propan-2-yloxypropoxy)-3-(2-propan-2-yloxypropan-2-yloxy)-6-[2-propan-2-yloxypropan-2-yloxy(2-propan-2-yloxypropan-2-ylperoxy)methyl]oxane
SMILESCOCC1OC(C(OOC(C)(C)OC(C)C)OC(C)(C)OC(C)C)C(COCC2OC(C(OC)OOC(C)(C)OC(C)C)C(C)C(OCC(C)(C)OC(C)C)C2OC(C)(C)OC(C)C)C(OCC(C)(C)OC(C)C)C1OC(C)(C)OC(C)C
InChIInChI=1S/C62H122O21/c1-37(2)70-56(16,17)35-66-48-44(15)49(54(64-31)80-82-61(26,27)75-42(11)12)68-47(52(48)77-58(20,21)72-39(5)6)34-65-32-45-50(67-36-57(18,19)71-38(3)4)53(78-59(22,23)73-40(7)8)46(33-63-30)69-51(45)55(79-60(24,25)74-41(9)10)81-83-62(28,29)76-43(13)14/h37-55H,32-36H2,1-31H3
InChIKeyCKWVOWAAUYGQHL-UHFFFAOYSA-N
MW1203.64 g/mol
LogP11.40
Rot. Bonds41

About 2-(methoxymethyl)-5-[[6-[methoxy(2-propan-2-yloxypropan-2-ylperoxy)methyl]-5-methyl-4-(2-methyl-2-propan-2-yloxypropoxy)-3-(2-propan-2-yloxypropan-2-yloxy)oxan-2-yl]methoxymethyl]-4-(2-methyl-2-propan-2-yloxypropoxy)-3-(2-propan-2-yloxypropan-2-yloxy)-6-[2-propan-2-yloxypropan-2-yloxy(2-propan-2-yloxypropan-2-ylperoxy)methyl]oxane

2-(methoxymethyl)-5-[[6-[methoxy(2-propan-2-yloxypropan-2-ylperoxy)methyl]-5-methyl-4-(2-methyl-2-propan-2-yloxypropoxy)-3-(2-propan-2-yloxypropan-2-yloxy)oxan-2-yl]methoxymethyl]-4-(2-methyl-2-propan-2-yloxypropoxy)-3-(2-propan-2-yloxypropan-2-yloxy)-6-[2-propan-2-yloxypropan-2-yloxy(2-propan-2-yloxypropan-2-ylperoxy)methyl]oxane (PubChem CID 22082133) has the molecular formula C62H122O21 and a molecular weight of 1203.64 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-[[6-[methoxy(2-propan-2-yloxypropan-2-ylperoxy)methyl]-5-methyl-4-(2-methyl-2-propan-2-yloxypropoxy)-3-(2-propan-2-yloxypropan-2-yloxy)oxan-2-yl]methoxymethyl]-4-(2-methyl-2-propan-2-yloxypropoxy)-3-(2-propan-2-yloxypropan-2-yloxy)-6-[2-propan-2-yloxypropan-2-yloxy(2-propan-2-yloxypropan-2-ylperoxy)methyl]oxane.

Molecular Properties

Compound Name2-(methoxymethyl)-5-[[6-[methoxy(2-propan-2-yloxypropan-2-ylperoxy)methyl]-5-methyl-4-(2-methyl-2-propan-2-yloxypropoxy)-3-(2-propan-2-yloxypropan-2-yloxy)oxan-2-yl]methoxymethyl]-4-(2-methyl-2-propan-2-yloxypropoxy)-3-(2-propan-2-yloxypropan-2-yloxy)-6-[2-propan-2-yloxypropan-2-yloxy(2-propan-2-yloxypropan-2-ylperoxy)methyl]oxane
PubChem CID22082133
Molecular FormulaC62H122O21
Molecular Weight1203.64 g/mol
Exact Mass1202.85
IUPAC Name2-(methoxymethyl)-5-[[6-[methoxy(2-propan-2-yloxypropan-2-ylperoxy)methyl]-5-methyl-4-(2-methyl-2-propan-2-yloxypropoxy)-3-(2-propan-2-yloxypropan-2-yloxy)oxan-2-yl]methoxymethyl]-4-(2-methyl-2-propan-2-yloxypropoxy)-3-(2-propan-2-yloxypropan-2-yloxy)-6-[2-propan-2-yloxypropan-2-yloxy(2-propan-2-yloxypropan-2-ylperoxy)methyl]oxane
SMILESCOCC1OC(C(OOC(C)(C)OC(C)C)OC(C)(C)OC(C)C)C(COCC2OC(C(OC)OOC(C)(C)OC(C)C)C(C)C(OCC(C)(C)OC(C)C)C2OC(C)(C)OC(C)C)C(OCC(C)(C)OC(C)C)C1OC(C)(C)OC(C)C
InChIInChI=1S/C62H122O21/c1-37(2)70-56(16,17)35-66-48-44(15)49(54(64-31)80-82-61(26,27)75-42(11)12)68-47(52(48)77-58(20,21)72-39(5)6)34-65-32-45-50(67-36-57(18,19)71-38(3)4)53(78-59(22,23)73-40(7)8)46(33-63-30)69-51(45)55(79-60(24,25)74-41(9)10)81-83-62(28,29)76-43(13)14/h37-55H,32-36H2,1-31H3
InChIKeyCKWVOWAAUYGQHL-UHFFFAOYSA-N
XLogP11.40
TPSA193.83 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds41
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001203.64
LogP ≤ 511.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 2-(methoxymethyl)-5-[[6-[methoxy(2-propan-2-yloxypropan-2-ylperoxy)methyl]-5-methyl-4-(2-methyl-2-propan-2-yloxypropoxy)-3-(2-propan-2-yloxypropan-2-yloxy)oxan-2-yl]methoxymethyl]-4-(2-methyl-2-propan-2-yloxypropoxy)-3-(2-propan-2-yloxypropan-2-yloxy)-6-[2-propan-2-yloxypropan-2-yloxy(2-propan-2-yloxypropan-2-ylperoxy)methyl]oxane with MolForge

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Related Compounds

[(2R,3S,4R,5S,6S)-3,4,5-triacetyloxy-6-[[(2R,3S,4S,5R,6R)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-methoxyoxan-4-yl]methyl]oxan-2-yl]methyl acetate
CID 101128268
(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,6R,8S,9R,14R,16S,17S,18R,19S,20R)-17,18,19,20-tetrakis(methoxymethoxy)-8,16-bis(methoxymethoxymethyl)-7,15-dioxatricyclo[12.2.2.26,9]icosa-2,4,10,12-tetrayne
CID 134977091
(8R,16R,23R,25R,26S,27S,28R,29S,30R)-8,16,25,26,27,28,29,30-octakis(methoxymethoxy)-23-(methoxymethoxymethyl)-7,15,24-trioxatetracyclo[20.2.2.26,9.214,17]triaconta-2,4,10,12,18,20-hexayne
CID 135083010
(2R,3R,4S,5R,6R)-2-(cyclohexylmethoxy)-3,4,5-trimethoxy-6-(methoxymethyl)tetrahydro-2H-pyran
CID 163409529
3,4,5-Trimethoxy-2-methyl-6-[3,5,7,8,9-pentamethoxy-1-(2-methoxy-1,3-dimethyl-butyl)-4,6-dimethyl-nonyloxy]-tetrahydro-pyran
CID 560228
D-(+)-Raffinose, permethyl
CID 91702007
(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-4-methyl-6-[(2R,3R,4S,5R,6R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxane
CID 18664098
2-(Methoxymethyl)-5,6-dimethyl-3-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-4-ol
CID 20603770
2-Ethyl-5-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-6-methoxy-3,4-dimethyloxane
CID 20708700
3-Methoxy-2,4,5-trimethyl-6-(2,4,5,6-tetramethyloxan-3-yl)oxyoxane
CID 20745636
(5R)-3,4-dimethoxy-6-(methoxymethyl)-2,2-dimethyl-5-[(5S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 53693676

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-[[6-[methoxy(2-propan-2-yloxypropan-2-ylperoxy)methyl]-5-methyl-4-(2-methyl-2-propan-2-yloxypropoxy)-3-(2-propan-2-yloxypropan-2-yloxy)oxan-2-yl]methoxymethyl]-4-(2-methyl-2-propan-2-yloxypropoxy)-3-(2-propan-2-yloxypropan-2-yloxy)-6-[2-propan-2-yloxypropan-2-yloxy(2-propan-2-yloxypropan-2-ylperoxy)methyl]oxane?
The IUPAC name of 2-(methoxymethyl)-5-[[6-[methoxy(2-propan-2-yloxypropan-2-ylperoxy)methyl]-5-methyl-4-(2-methyl-2-propan-2-yloxypropoxy)-3-(2-propan-2-yloxypropan-2-yloxy)oxan-2-yl]methoxymethyl]-4-(2-methyl-2-propan-2-yloxypropoxy)-3-(2-propan-2-yloxypropan-2-yloxy)-6-[2-propan-2-yloxypropan-2-yloxy(2-propan-2-yloxypropan-2-ylperoxy)methyl]oxane (CID 22082133) is 2-(methoxymethyl)-5-[[6-[methoxy(2-propan-2-yloxypropan-2-ylperoxy)methyl]-5-methyl-4-(2-methyl-2-propan-2-yloxypropoxy)-3-(2-propan-2-yloxypropan-2-yloxy)oxan-2-yl]methoxymethyl]-4-(2-methyl-2-propan-2-yloxypropoxy)-3-(2-propan-2-yloxypropan-2-yloxy)-6-[2-propan-2-yloxypropan-2-yloxy(2-propan-2-yloxypropan-2-ylperoxy)methyl]oxane.
What is the SMILES notation for 2-(methoxymethyl)-5-[[6-[methoxy(2-propan-2-yloxypropan-2-ylperoxy)methyl]-5-methyl-4-(2-methyl-2-propan-2-yloxypropoxy)-3-(2-propan-2-yloxypropan-2-yloxy)oxan-2-yl]methoxymethyl]-4-(2-methyl-2-propan-2-yloxypropoxy)-3-(2-propan-2-yloxypropan-2-yloxy)-6-[2-propan-2-yloxypropan-2-yloxy(2-propan-2-yloxypropan-2-ylperoxy)methyl]oxane?
The canonical SMILES for 2-(methoxymethyl)-5-[[6-[methoxy(2-propan-2-yloxypropan-2-ylperoxy)methyl]-5-methyl-4-(2-methyl-2-propan-2-yloxypropoxy)-3-(2-propan-2-yloxypropan-2-yloxy)oxan-2-yl]methoxymethyl]-4-(2-methyl-2-propan-2-yloxypropoxy)-3-(2-propan-2-yloxypropan-2-yloxy)-6-[2-propan-2-yloxypropan-2-yloxy(2-propan-2-yloxypropan-2-ylperoxy)methyl]oxane is COCC1OC(C(OOC(C)(C)OC(C)C)OC(C)(C)OC(C)C)C(COCC2OC(C(OC)OOC(C)(C)OC(C)C)C(C)C(OCC(C)(C)OC(C)C)C2OC(C)(C)OC(C)C)C(OCC(C)(C)OC(C)C)C1OC(C)(C)OC(C)C.
What is the InChIKey of 2-(methoxymethyl)-5-[[6-[methoxy(2-propan-2-yloxypropan-2-ylperoxy)methyl]-5-methyl-4-(2-methyl-2-propan-2-yloxypropoxy)-3-(2-propan-2-yloxypropan-2-yloxy)oxan-2-yl]methoxymethyl]-4-(2-methyl-2-propan-2-yloxypropoxy)-3-(2-propan-2-yloxypropan-2-yloxy)-6-[2-propan-2-yloxypropan-2-yloxy(2-propan-2-yloxypropan-2-ylperoxy)methyl]oxane?
The InChIKey is CKWVOWAAUYGQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H122O21/c1-37(2)70-56(16,17)35-66-48-44(15)49(54(64-31)80-82-61(26,27)75-42(11)12)68-47(52(48)77-58(20,21)72-39(5)6)34-65-32-45-50(67-36-57(18,19)71-38(3)4)53(78-59(22,23)73-40(7)8)46(33-63-30)69-51(45)55(79-60(24,25)74-41(9)10)81-83-62(28,29)76-43(13)14/h37-55H,32-36H2,1-31H3.
What are the key properties of 2-(methoxymethyl)-5-[[6-[methoxy(2-propan-2-yloxypropan-2-ylperoxy)methyl]-5-methyl-4-(2-methyl-2-propan-2-yloxypropoxy)-3-(2-propan-2-yloxypropan-2-yloxy)oxan-2-yl]methoxymethyl]-4-(2-methyl-2-propan-2-yloxypropoxy)-3-(2-propan-2-yloxypropan-2-yloxy)-6-[2-propan-2-yloxypropan-2-yloxy(2-propan-2-yloxypropan-2-ylperoxy)methyl]oxane?
2-(methoxymethyl)-5-[[6-[methoxy(2-propan-2-yloxypropan-2-ylperoxy)methyl]-5-methyl-4-(2-methyl-2-propan-2-yloxypropoxy)-3-(2-propan-2-yloxypropan-2-yloxy)oxan-2-yl]methoxymethyl]-4-(2-methyl-2-propan-2-yloxypropoxy)-3-(2-propan-2-yloxypropan-2-yloxy)-6-[2-propan-2-yloxypropan-2-yloxy(2-propan-2-yloxypropan-2-ylperoxy)methyl]oxane has a molecular weight of 1203.64 g/mol, XLogP of 11.40, 41 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-[[6-[methoxy(2-propan-2-yloxypropan-2-ylperoxy)methyl]-5-methyl-4-(2-methyl-2-propan-2-yloxypropoxy)-3-(2-propan-2-yloxypropan-2-yloxy)oxan-2-yl]methoxymethyl]-4-(2-methyl-2-propan-2-yloxypropoxy)-3-(2-propan-2-yloxypropan-2-yloxy)-6-[2-propan-2-yloxypropan-2-yloxy(2-propan-2-yloxypropan-2-ylperoxy)methyl]oxane is sourced from PubChem (CID 22082133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).