aminomethanol;[6-(aminomethoxy)-3,4,5-trimethyloxan-2-yl]methyl acetate;1,2-dichloroethane;2-(hydroxymethylamino)-1-phenylethanone;(2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl)methyl acetate;[3,4,5-trimethyl-6-[(phenacylamino)methoxy]oxan-2-yl]methyl acetate;trimethylsilyl trifluoromethanesulfonate

C60H100Cl2F3N5O19SSi — CID 161318134

About aminomethanol;[6-(aminomethoxy)-3,4,5-trimethyloxan-2-yl]methyl acetate;1,2-dichloroethane;2-(hydroxymethylamino)-1-phenylethanone;(2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl)methyl acetate;[3,4,5-trimethyl-6-[(phenacylamino)methoxy]oxan-2-yl]methyl acetate;trimethylsilyl trifluoromethanesulfonate

aminomethanol;[6-(aminomethoxy)-3,4,5-trimethyloxan-2-yl]methyl acetate;1,2-dichloroethane;2-(hydroxymethylamino)-1-phenylethanone;(2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl)methyl acetate;[3,4,5-trimethyl-6-[(phenacylamino)methoxy]oxan-2-yl]methyl acetate;trimethylsilyl trifluoromethanesulfonate (PubChem CID 161318134) has the molecular formula C60H100Cl2F3N5O19SSi and a molecular weight of 1383.53 g/mol. Its IUPAC name is aminomethanol;[6-(aminomethoxy)-3,4,5-trimethyloxan-2-yl]methyl acetate;1,2-dichloroethane;2-(hydroxymethylamino)-1-phenylethanone;(2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl)methyl acetate;[3,4,5-trimethyl-6-[(phenacylamino)methoxy]oxan-2-yl]methyl acetate;trimethylsilyl trifluoromethanesulfonate.

Molecular Properties

• Compound Name: aminomethanol;[6-(aminomethoxy)-3,4,5-trimethyloxan-2-yl]methyl acetate;1,2-dichloroethane;2-(hydroxymethylamino)-1-phenylethanone;(2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl)methyl acetate;[3,4,5-trimethyl-6-[(phenacylamino)methoxy]oxan-2-yl]methyl acetate;trimethylsilyl trifluoromethanesulfonate
• PubChem CID: 161318134
• Molecular Formula: C60H100Cl2F3N5O19SSi
• Molecular Weight: 1383.53 g/mol
• Exact Mass: 1381.58
• IUPAC Name: aminomethanol;[6-(aminomethoxy)-3,4,5-trimethyloxan-2-yl]methyl acetate;1,2-dichloroethane;2-(hydroxymethylamino)-1-phenylethanone;(2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl)methyl acetate;[3,4,5-trimethyl-6-[(phenacylamino)methoxy]oxan-2-yl]methyl acetate;trimethylsilyl trifluoromethanesulfonate
• SMILES: CC(=O)OCC1OC(OCN)C(C)C(C)C1C.CC(=O)OCC1OC(OCNCC(=O)c2ccccc2)C(C)C(C)C1C.CC(=O)OCC1OC2OC(C)=NC2C(C)C1C.C[Si](C)(C)OS(=O)(=O)C(F)(F)F.ClCCCl.NCO.O=C(CNCO)c1ccccc1
• InChI: InChI=1S/C20H29NO5.C12H19NO4.C12H23NO4.C9H11NO2.C4H9F3O3SSi.C2H4Cl2.CH5NO/c1-13-14(2)19(11-24-16(4)22)26-20(15(13)3)25-12-21-10-18(23)17-8-6-5-7-9-17;1-6-7(2)11-12(16-8(3)13-11)17-10(6)5-15-9(4)14;1-7-8(2)11(5-15-10(4)14)17-12(9(7)3)16-6-13;11-7-10-6-9(12)8-4-2-1-3-5-8;1-12(2,3)10-11(8,9)4(5,6)7;3-1-2-4;2-1-3/h5-9,13-15,19-21H,10-12H2,1-4H3;6-7,10-12H,5H2,1-4H3;7-9,11-12H,5-6,13H2,1-4H3;1-5,10-11H,6-7H2;1-3H3;1-2H2;3H,1-2H2
• InChIKey: VJTSJFAADOJEID-UHFFFAOYSA-N
• XLogP: 7.56
• TPSA: 340.71 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1383.53
LogP ≤ 5	7.56
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of aminomethanol;[6-(aminomethoxy)-3,4,5-trimethyloxan-2-yl]methyl acetate;1,2-dichloroethane;2-(hydroxymethylamino)-1-phenylethanone;(2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl)methyl acetate;[3,4,5-trimethyl-6-[(phenacylamino)methoxy]oxan-2-yl]methyl acetate;trimethylsilyl trifluoromethanesulfonate?

The IUPAC name of aminomethanol;[6-(aminomethoxy)-3,4,5-trimethyloxan-2-yl]methyl acetate;1,2-dichloroethane;2-(hydroxymethylamino)-1-phenylethanone;(2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl)methyl acetate;[3,4,5-trimethyl-6-[(phenacylamino)methoxy]oxan-2-yl]methyl acetate;trimethylsilyl trifluoromethanesulfonate (CID 161318134) is aminomethanol;[6-(aminomethoxy)-3,4,5-trimethyloxan-2-yl]methyl acetate;1,2-dichloroethane;2-(hydroxymethylamino)-1-phenylethanone;(2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl)methyl acetate;[3,4,5-trimethyl-6-[(phenacylamino)methoxy]oxan-2-yl]methyl acetate;trimethylsilyl trifluoromethanesulfonate.

What is the SMILES notation for aminomethanol;[6-(aminomethoxy)-3,4,5-trimethyloxan-2-yl]methyl acetate;1,2-dichloroethane;2-(hydroxymethylamino)-1-phenylethanone;(2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl)methyl acetate;[3,4,5-trimethyl-6-[(phenacylamino)methoxy]oxan-2-yl]methyl acetate;trimethylsilyl trifluoromethanesulfonate?

The canonical SMILES for aminomethanol;[6-(aminomethoxy)-3,4,5-trimethyloxan-2-yl]methyl acetate;1,2-dichloroethane;2-(hydroxymethylamino)-1-phenylethanone;(2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl)methyl acetate;[3,4,5-trimethyl-6-[(phenacylamino)methoxy]oxan-2-yl]methyl acetate;trimethylsilyl trifluoromethanesulfonate is CC(=O)OCC1OC(OCN)C(C)C(C)C1C.CC(=O)OCC1OC(OCNCC(=O)c2ccccc2)C(C)C(C)C1C.CC(=O)OCC1OC2OC(C)=NC2C(C)C1C.C[Si](C)(C)OS(=O)(=O)C(F)(F)F.ClCCCl.NCO.O=C(CNCO)c1ccccc1.

What is the InChIKey of aminomethanol;[6-(aminomethoxy)-3,4,5-trimethyloxan-2-yl]methyl acetate;1,2-dichloroethane;2-(hydroxymethylamino)-1-phenylethanone;(2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl)methyl acetate;[3,4,5-trimethyl-6-[(phenacylamino)methoxy]oxan-2-yl]methyl acetate;trimethylsilyl trifluoromethanesulfonate?

The InChIKey is VJTSJFAADOJEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO5.C12H19NO4.C12H23NO4.C9H11NO2.C4H9F3O3SSi.C2H4Cl2.CH5NO/c1-13-14(2)19(11-24-16(4)22)26-20(15(13)3)25-12-21-10-18(23)17-8-6-5-7-9-17;1-6-7(2)11-12(16-8(3)13-11)17-10(6)5-15-9(4)14;1-7-8(2)11(5-15-10(4)14)17-12(9(7)3)16-6-13;11-7-10-6-9(12)8-4-2-1-3-5-8;1-12(2,3)10-11(8,9)4(5,6)7;3-1-2-4;2-1-3/h5-9,13-15,19-21H,10-12H2,1-4H3;6-7,10-12H,5H2,1-4H3;7-9,11-12H,5-6,13H2,1-4H3;1-5,10-11H,6-7H2;1-3H3;1-2H2;3H,1-2H2.

What are the key properties of aminomethanol;[6-(aminomethoxy)-3,4,5-trimethyloxan-2-yl]methyl acetate;1,2-dichloroethane;2-(hydroxymethylamino)-1-phenylethanone;(2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl)methyl acetate;[3,4,5-trimethyl-6-[(phenacylamino)methoxy]oxan-2-yl]methyl acetate;trimethylsilyl trifluoromethanesulfonate?

aminomethanol;[6-(aminomethoxy)-3,4,5-trimethyloxan-2-yl]methyl acetate;1,2-dichloroethane;2-(hydroxymethylamino)-1-phenylethanone;(2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl)methyl acetate;[3,4,5-trimethyl-6-[(phenacylamino)methoxy]oxan-2-yl]methyl acetate;trimethylsilyl trifluoromethanesulfonate has a molecular weight of 1383.53 g/mol, XLogP of 7.56, 21 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for aminomethanol;[6-(aminomethoxy)-3,4,5-trimethyloxan-2-yl]methyl acetate;1,2-dichloroethane;2-(hydroxymethylamino)-1-phenylethanone;(2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl)methyl acetate;[3,4,5-trimethyl-6-[(phenacylamino)methoxy]oxan-2-yl]methyl acetate;trimethylsilyl trifluoromethanesulfonate is sourced from PubChem (CID 161318134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).