4,5,6-tritert-butyl-2,2-dimethylmorpholine;2,3,4-tritert-butyl-6-methylmorpholine;2,3,4-tritert-butylmorpholine;5,6,7-tritert-butyl-4-oxa-7-azaspiro[2.5]octane;1,2,3-tritert-butylpiperidine;2,3,4-tritert-butyl-1,4-thiazinane 1,1-dioxide;2,3,4-tritert-butylthiomorpholine;4,5,6-tritert-butyl-2,3,3-trideuterio-2-methylmorpholine

C135H276N8O7S2 — CID 167688659

About 4,5,6-tritert-butyl-2,2-dimethylmorpholine;2,3,4-tritert-butyl-6-methylmorpholine;2,3,4-tritert-butylmorpholine;5,6,7-tritert-butyl-4-oxa-7-azaspiro[2.5]octane;1,2,3-tritert-butylpiperidine;2,3,4-tritert-butyl-1,4-thiazinane 1,1-dioxide;2,3,4-tritert-butylthiomorpholine;4,5,6-tritert-butyl-2,3,3-trideuterio-2-methylmorpholine

4,5,6-tritert-butyl-2,2-dimethylmorpholine;2,3,4-tritert-butyl-6-methylmorpholine;2,3,4-tritert-butylmorpholine;5,6,7-tritert-butyl-4-oxa-7-azaspiro[2.5]octane;1,2,3-tritert-butylpiperidine;2,3,4-tritert-butyl-1,4-thiazinane 1,1-dioxide;2,3,4-tritert-butylthiomorpholine;4,5,6-tritert-butyl-2,3,3-trideuterio-2-methylmorpholine (PubChem CID 167688659) has the molecular formula C135H276N8O7S2 and a molecular weight of 2190.89 g/mol. Its IUPAC name is 4,5,6-tritert-butyl-2,2-dimethylmorpholine;2,3,4-tritert-butyl-6-methylmorpholine;2,3,4-tritert-butylmorpholine;5,6,7-tritert-butyl-4-oxa-7-azaspiro[2.5]octane;1,2,3-tritert-butylpiperidine;2,3,4-tritert-butyl-1,4-thiazinane 1,1-dioxide;2,3,4-tritert-butylthiomorpholine;4,5,6-tritert-butyl-2,3,3-trideuterio-2-methylmorpholine.

Molecular Properties

• Compound Name: 4,5,6-tritert-butyl-2,2-dimethylmorpholine;2,3,4-tritert-butyl-6-methylmorpholine;2,3,4-tritert-butylmorpholine;5,6,7-tritert-butyl-4-oxa-7-azaspiro[2.5]octane;1,2,3-tritert-butylpiperidine;2,3,4-tritert-butyl-1,4-thiazinane 1,1-dioxide;2,3,4-tritert-butylthiomorpholine;4,5,6-tritert-butyl-2,3,3-trideuterio-2-methylmorpholine
• PubChem CID: 167688659
• Molecular Formula: C135H276N8O7S2
• Molecular Weight: 2190.89 g/mol
• Exact Mass: 2189.11
• IUPAC Name: 4,5,6-tritert-butyl-2,2-dimethylmorpholine;2,3,4-tritert-butyl-6-methylmorpholine;2,3,4-tritert-butylmorpholine;5,6,7-tritert-butyl-4-oxa-7-azaspiro[2.5]octane;1,2,3-tritert-butylpiperidine;2,3,4-tritert-butyl-1,4-thiazinane 1,1-dioxide;2,3,4-tritert-butylthiomorpholine;4,5,6-tritert-butyl-2,3,3-trideuterio-2-methylmorpholine
• SMILES: CC(C)(C)C1C(C(C)(C)C)S(=O)(=O)CCN1C(C)(C)C.CC(C)(C)C1CCCN(C(C)(C)C)C1C(C)(C)C.CC(C)(C)C1OC2(CC2)CN(C(C)(C)C)C1C(C)(C)C.CC(C)(C)C1OCCN(C(C)(C)C)C1C(C)(C)C.CC(C)(C)C1SCCN(C(C)(C)C)C1C(C)(C)C.CC1(C)CN(C(C)(C)C)C(C(C)(C)C)C(C(C)(C)C)O1.CC1CN(C(C)(C)C)C(C(C)(C)C)C(C(C)(C)C)O1.[2H]C1(C)OC(C(C)(C)C)C(C(C)(C)C)N(C(C)(C)C)C1([2H])[2H]
• InChI: InChI=1S/C18H35NO.C18H37NO.2C17H35NO.C17H35N.C16H33NO2S.C16H33NO.C16H33NS/c1-15(2,3)13-14(16(4,5)6)20-18(10-11-18)12-19(13)17(7,8)9;1-15(2,3)13-14(16(4,5)6)20-18(10,11)12-19(13)17(7,8)9;2*1-12-11-18(17(8,9)10)13(15(2,3)4)14(19-12)16(5,6)7;1-15(2,3)13-11-10-12-18(17(7,8)9)14(13)16(4,5)6;1-14(2,3)12-13(15(4,5)6)20(18,19)11-10-17(12)16(7,8)9;2*1-14(2,3)12-13(15(4,5)6)18-11-10-17(12)16(7,8)9/h13-14H,10-12H2,1-9H3;13-14H,12H2,1-11H3;2*12-14H,11H2,1-10H3;13-14H,10-12H2,1-9H3;12-13H,10-11H2,1-9H3;2*12-13H,10-11H2,1-9H3/i;;11D2,12D
• InChIKey: WPDJEQXSHVTQPY-HJVSXPTBSA-N
• XLogP: 34.79
• TPSA: 106.21 Ų
• H-Bond Acceptors: 16
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2190.89
LogP ≤ 5	34.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 4,5,6-tritert-butyl-2,2-dimethylmorpholine;2,3,4-tritert-butyl-6-methylmorpholine;2,3,4-tritert-butylmorpholine;5,6,7-tritert-butyl-4-oxa-7-azaspiro[2.5]octane;1,2,3-tritert-butylpiperidine;2,3,4-tritert-butyl-1,4-thiazinane 1,1-dioxide;2,3,4-tritert-butylthiomorpholine;4,5,6-tritert-butyl-2,3,3-trideuterio-2-methylmorpholine?

The IUPAC name of 4,5,6-tritert-butyl-2,2-dimethylmorpholine;2,3,4-tritert-butyl-6-methylmorpholine;2,3,4-tritert-butylmorpholine;5,6,7-tritert-butyl-4-oxa-7-azaspiro[2.5]octane;1,2,3-tritert-butylpiperidine;2,3,4-tritert-butyl-1,4-thiazinane 1,1-dioxide;2,3,4-tritert-butylthiomorpholine;4,5,6-tritert-butyl-2,3,3-trideuterio-2-methylmorpholine (CID 167688659) is 4,5,6-tritert-butyl-2,2-dimethylmorpholine;2,3,4-tritert-butyl-6-methylmorpholine;2,3,4-tritert-butylmorpholine;5,6,7-tritert-butyl-4-oxa-7-azaspiro[2.5]octane;1,2,3-tritert-butylpiperidine;2,3,4-tritert-butyl-1,4-thiazinane 1,1-dioxide;2,3,4-tritert-butylthiomorpholine;4,5,6-tritert-butyl-2,3,3-trideuterio-2-methylmorpholine.

What is the SMILES notation for 4,5,6-tritert-butyl-2,2-dimethylmorpholine;2,3,4-tritert-butyl-6-methylmorpholine;2,3,4-tritert-butylmorpholine;5,6,7-tritert-butyl-4-oxa-7-azaspiro[2.5]octane;1,2,3-tritert-butylpiperidine;2,3,4-tritert-butyl-1,4-thiazinane 1,1-dioxide;2,3,4-tritert-butylthiomorpholine;4,5,6-tritert-butyl-2,3,3-trideuterio-2-methylmorpholine?

The canonical SMILES for 4,5,6-tritert-butyl-2,2-dimethylmorpholine;2,3,4-tritert-butyl-6-methylmorpholine;2,3,4-tritert-butylmorpholine;5,6,7-tritert-butyl-4-oxa-7-azaspiro[2.5]octane;1,2,3-tritert-butylpiperidine;2,3,4-tritert-butyl-1,4-thiazinane 1,1-dioxide;2,3,4-tritert-butylthiomorpholine;4,5,6-tritert-butyl-2,3,3-trideuterio-2-methylmorpholine is CC(C)(C)C1C(C(C)(C)C)S(=O)(=O)CCN1C(C)(C)C.CC(C)(C)C1CCCN(C(C)(C)C)C1C(C)(C)C.CC(C)(C)C1OC2(CC2)CN(C(C)(C)C)C1C(C)(C)C.CC(C)(C)C1OCCN(C(C)(C)C)C1C(C)(C)C.CC(C)(C)C1SCCN(C(C)(C)C)C1C(C)(C)C.CC1(C)CN(C(C)(C)C)C(C(C)(C)C)C(C(C)(C)C)O1.CC1CN(C(C)(C)C)C(C(C)(C)C)C(C(C)(C)C)O1.[2H]C1(C)OC(C(C)(C)C)C(C(C)(C)C)N(C(C)(C)C)C1([2H])[2H].

What is the InChIKey of 4,5,6-tritert-butyl-2,2-dimethylmorpholine;2,3,4-tritert-butyl-6-methylmorpholine;2,3,4-tritert-butylmorpholine;5,6,7-tritert-butyl-4-oxa-7-azaspiro[2.5]octane;1,2,3-tritert-butylpiperidine;2,3,4-tritert-butyl-1,4-thiazinane 1,1-dioxide;2,3,4-tritert-butylthiomorpholine;4,5,6-tritert-butyl-2,3,3-trideuterio-2-methylmorpholine?

The InChIKey is WPDJEQXSHVTQPY-HJVSXPTBSA-N. The full InChI is InChI=1S/C18H35NO.C18H37NO.2C17H35NO.C17H35N.C16H33NO2S.C16H33NO.C16H33NS/c1-15(2,3)13-14(16(4,5)6)20-18(10-11-18)12-19(13)17(7,8)9;1-15(2,3)13-14(16(4,5)6)20-18(10,11)12-19(13)17(7,8)9;2*1-12-11-18(17(8,9)10)13(15(2,3)4)14(19-12)16(5,6)7;1-15(2,3)13-11-10-12-18(17(7,8)9)14(13)16(4,5)6;1-14(2,3)12-13(15(4,5)6)20(18,19)11-10-17(12)16(7,8)9;2*1-14(2,3)12-13(15(4,5)6)18-11-10-17(12)16(7,8)9/h13-14H,10-12H2,1-9H3;13-14H,12H2,1-11H3;2*12-14H,11H2,1-10H3;13-14H,10-12H2,1-9H3;12-13H,10-11H2,1-9H3;2*12-13H,10-11H2,1-9H3/i;;11D2,12D;;;;;.

What are the key properties of 4,5,6-tritert-butyl-2,2-dimethylmorpholine;2,3,4-tritert-butyl-6-methylmorpholine;2,3,4-tritert-butylmorpholine;5,6,7-tritert-butyl-4-oxa-7-azaspiro[2.5]octane;1,2,3-tritert-butylpiperidine;2,3,4-tritert-butyl-1,4-thiazinane 1,1-dioxide;2,3,4-tritert-butylthiomorpholine;4,5,6-tritert-butyl-2,3,3-trideuterio-2-methylmorpholine?

4,5,6-tritert-butyl-2,2-dimethylmorpholine;2,3,4-tritert-butyl-6-methylmorpholine;2,3,4-tritert-butylmorpholine;5,6,7-tritert-butyl-4-oxa-7-azaspiro[2.5]octane;1,2,3-tritert-butylpiperidine;2,3,4-tritert-butyl-1,4-thiazinane 1,1-dioxide;2,3,4-tritert-butylthiomorpholine;4,5,6-tritert-butyl-2,3,3-trideuterio-2-methylmorpholine has a molecular weight of 2190.89 g/mol, XLogP of 34.79, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5,6-tritert-butyl-2,2-dimethylmorpholine;2,3,4-tritert-butyl-6-methylmorpholine;2,3,4-tritert-butylmorpholine;5,6,7-tritert-butyl-4-oxa-7-azaspiro[2.5]octane;1,2,3-tritert-butylpiperidine;2,3,4-tritert-butyl-1,4-thiazinane 1,1-dioxide;2,3,4-tritert-butylthiomorpholine;4,5,6-tritert-butyl-2,3,3-trideuterio-2-methylmorpholine is sourced from PubChem (CID 167688659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).