2-tert-butyl-7,7-dimethyl-1-morpholin-4-yloctan-1-one;2-tert-butyl-7,7-dimethyl-1-pyrrolidin-1-yloctan-1-one;2-tert-butyl-1-(4-hydroxypiperidin-1-yl)-7,7-dimethyloctan-1-one;2-tert-butyl-1-(3-hydroxypyrrolidin-1-yl)-7,7-dimethyloctan-1-one;oxetan-3-yl 2-tert-butyl-7,7-dimethyloctanoate

C90H174N4O10 — CID 162233088

IUPAC2-tert-butyl-7,7-dimethyl-1-morpholin-4-yloctan-1-one;2-tert-butyl-7,7-dimethyl-1-pyrrolidin-1-yloctan-1-one;2-tert-butyl-1-(4-hydroxypiperidin-1-yl)-7,7-dimethyloctan-1-one;2-tert-butyl-1-(3-hydroxypyrrolidin-1-yl)-7,7-dimethyloctan-1-one;oxetan-3-yl 2-tert-butyl-7,7-dimethyloctanoate
SMILESCC(C)(C)CCCCC(C(=O)N1CCC(O)C1)C(C)(C)C.CC(C)(C)CCCCC(C(=O)N1CCC(O)CC1)C(C)(C)C.CC(C)(C)CCCCC(C(=O)N1CCCC1)C(C)(C)C.CC(C)(C)CCCCC(C(=O)N1CCOCC1)C(C)(C)C.CC(C)(C)CCCCC(C(=O)OC1COC1)C(C)(C)C
InChIInChI=1S/C19H37NO2.2C18H35NO2.C18H35NO.C17H32O3/c1-18(2,3)12-8-7-9-16(19(4,5)6)17(22)20-13-10-15(21)11-14-20;1-17(2,3)11-8-7-9-15(18(4,5)6)16(21)19-12-10-14(20)13-19;1-17(2,3)10-8-7-9-15(18(4,5)6)16(20)19-11-13-21-14-12-19;1-17(2,3)12-8-7-11-15(18(4,5)6)16(20)19-13-9-10-14-19;1-16(2,3)10-8-7-9-14(17(4,5)6)15(18)20-13-11-19-12-13/h15-16,21H,7-14H2,1-6H3;14-15,20H,7-13H2,1-6H3;15H,7-14H2,1-6H3;15H,7-14H2,1-6H3;13-14H,7-12H2,1-6H3
InChIKeyZVRSCTHUPKTGMY-UHFFFAOYSA-N
MW1472.40 g/mol
LogP21.28
Rot. Bonds26

About 2-tert-butyl-7,7-dimethyl-1-morpholin-4-yloctan-1-one;2-tert-butyl-7,7-dimethyl-1-pyrrolidin-1-yloctan-1-one;2-tert-butyl-1-(4-hydroxypiperidin-1-yl)-7,7-dimethyloctan-1-one;2-tert-butyl-1-(3-hydroxypyrrolidin-1-yl)-7,7-dimethyloctan-1-one;oxetan-3-yl 2-tert-butyl-7,7-dimethyloctanoate

2-tert-butyl-7,7-dimethyl-1-morpholin-4-yloctan-1-one;2-tert-butyl-7,7-dimethyl-1-pyrrolidin-1-yloctan-1-one;2-tert-butyl-1-(4-hydroxypiperidin-1-yl)-7,7-dimethyloctan-1-one;2-tert-butyl-1-(3-hydroxypyrrolidin-1-yl)-7,7-dimethyloctan-1-one;oxetan-3-yl 2-tert-butyl-7,7-dimethyloctanoate (PubChem CID 162233088) has the molecular formula C90H174N4O10 and a molecular weight of 1472.40 g/mol. Its IUPAC name is 2-tert-butyl-7,7-dimethyl-1-morpholin-4-yloctan-1-one;2-tert-butyl-7,7-dimethyl-1-pyrrolidin-1-yloctan-1-one;2-tert-butyl-1-(4-hydroxypiperidin-1-yl)-7,7-dimethyloctan-1-one;2-tert-butyl-1-(3-hydroxypyrrolidin-1-yl)-7,7-dimethyloctan-1-one;oxetan-3-yl 2-tert-butyl-7,7-dimethyloctanoate.

Molecular Properties

Compound Name2-tert-butyl-7,7-dimethyl-1-morpholin-4-yloctan-1-one;2-tert-butyl-7,7-dimethyl-1-pyrrolidin-1-yloctan-1-one;2-tert-butyl-1-(4-hydroxypiperidin-1-yl)-7,7-dimethyloctan-1-one;2-tert-butyl-1-(3-hydroxypyrrolidin-1-yl)-7,7-dimethyloctan-1-one;oxetan-3-yl 2-tert-butyl-7,7-dimethyloctanoate
PubChem CID162233088
Molecular FormulaC90H174N4O10
Molecular Weight1472.40 g/mol
Exact Mass1471.32
IUPAC Name2-tert-butyl-7,7-dimethyl-1-morpholin-4-yloctan-1-one;2-tert-butyl-7,7-dimethyl-1-pyrrolidin-1-yloctan-1-one;2-tert-butyl-1-(4-hydroxypiperidin-1-yl)-7,7-dimethyloctan-1-one;2-tert-butyl-1-(3-hydroxypyrrolidin-1-yl)-7,7-dimethyloctan-1-one;oxetan-3-yl 2-tert-butyl-7,7-dimethyloctanoate
SMILESCC(C)(C)CCCCC(C(=O)N1CCC(O)C1)C(C)(C)C.CC(C)(C)CCCCC(C(=O)N1CCC(O)CC1)C(C)(C)C.CC(C)(C)CCCCC(C(=O)N1CCCC1)C(C)(C)C.CC(C)(C)CCCCC(C(=O)N1CCOCC1)C(C)(C)C.CC(C)(C)CCCCC(C(=O)OC1COC1)C(C)(C)C
InChIInChI=1S/C19H37NO2.2C18H35NO2.C18H35NO.C17H32O3/c1-18(2,3)12-8-7-9-16(19(4,5)6)17(22)20-13-10-15(21)11-14-20;1-17(2,3)11-8-7-9-15(18(4,5)6)16(21)19-12-10-14(20)13-19;1-17(2,3)10-8-7-9-15(18(4,5)6)16(20)19-11-13-21-14-12-19;1-17(2,3)12-8-7-11-15(18(4,5)6)16(20)19-13-9-10-14-19;1-16(2,3)10-8-7-9-14(17(4,5)6)15(18)20-13-11-19-12-13/h15-16,21H,7-14H2,1-6H3;14-15,20H,7-13H2,1-6H3;15H,7-14H2,1-6H3;15H,7-14H2,1-6H3;13-14H,7-12H2,1-6H3
InChIKeyZVRSCTHUPKTGMY-UHFFFAOYSA-N
XLogP21.28
TPSA166.46 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds26
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001472.40
LogP ≤ 521.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-tert-butyl-7,7-dimethyl-1-morpholin-4-yloctan-1-one;2-tert-butyl-7,7-dimethyl-1-pyrrolidin-1-yloctan-1-one;2-tert-butyl-1-(4-hydroxypiperidin-1-yl)-7,7-dimethyloctan-1-one;2-tert-butyl-1-(3-hydroxypyrrolidin-1-yl)-7,7-dimethyloctan-1-one;oxetan-3-yl 2-tert-butyl-7,7-dimethyloctanoate with MolForge

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Related Compounds

2-tert-butyl-7,7-dimethyl-1-(4-methylpiperazin-1-yl)octan-1-one;2-tert-butyl-7,7-dimethyl-1-morpholin-4-yloctan-1-one;2-tert-butyl-7,7-dimethyl-1-pyrrolidin-1-yloctan-1-one;2-tert-butyl-1-(1,1-dioxo-1,4-thiazinan-4-yl)-7,7-dimethyloctan-1-one;2-tert-butyl-1-(4-hydroxypiperidin-1-yl)-7,7-dimethyloctan-1-one;2-tert-butyl-1-(3-hydroxypyrrolidin-1-yl)-7,7-dimethyloctan-1-one;methane;oxetan-3-yl 2-tert-butyl-7,7-dimethyloctanoate
CID 159085357
1-(azetidin-1-yl)-2-tert-butyl-7,7-dimethyloctan-1-one;2-tert-butyl-1-(3,3-dimethylazetidin-1-yl)-7,7-dimethyloctan-1-one;bis(2-tert-butyl-7,7-dimethyl-1-(3-methylazetidin-1-yl)octan-1-one);2-tert-butyl-7,7-dimethyl-N-(oxetan-3-yl)octanamide;2-tert-butyl-1-(3-hydroxyazetidin-1-yl)-7,7-dimethyloctan-1-one;2-tert-butyl-1-(3-hydroxy-3-methylazetidin-1-yl)-7,7-dimethyloctan-1-one;2-methylidene-4-(2,2,8,8-tetramethylnonan-3-yl)-3H-1,3-thiazole;oxetan-3-yl 2-tert-butyl-7,7-dimethyloctanoate
CID 161042131
5,5-dimethylhexyl (3R)-3-hydroxypyrrolidine-1-carboxylate
CID 69001504
7,7-dimethyl-1-morpholin-4-yl-2-(propan-2-ylamino)octan-1-one
CID 134189516
1-(3-hydroxypiperidin-1-yl)-5,5-dimethylhexan-1-one
CID 110935763
2-amino-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one
CID 103950641
ethyl 2-(3-hydroxypyrrolidine-1-carbonyl)-3,3-dimethylbutanoate
CID 116538028
2-(aminomethyl)-1-[(3S)-3-hydroxypiperidin-1-yl]-4,4-dimethylpentan-1-one
CID 107472973
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2,3,3-trimethylbutan-1-one
CID 131007907
tert-butyl 3-hydroxypyrrolidine-1-carboxylate;cyclopentanol
CID 157216636
3-amino-1-(3-hydroxypiperidin-1-yl)-2-methoxypropan-1-one
CID 106111292
ethyl 2-amino-3-[(3R)-3-hydroxypyrrolidin-1-yl]-3-oxopropanoate
CID 107217271

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7,7-dimethyl-1-morpholin-4-yloctan-1-one;2-tert-butyl-7,7-dimethyl-1-pyrrolidin-1-yloctan-1-one;2-tert-butyl-1-(4-hydroxypiperidin-1-yl)-7,7-dimethyloctan-1-one;2-tert-butyl-1-(3-hydroxypyrrolidin-1-yl)-7,7-dimethyloctan-1-one;oxetan-3-yl 2-tert-butyl-7,7-dimethyloctanoate?
The IUPAC name of 2-tert-butyl-7,7-dimethyl-1-morpholin-4-yloctan-1-one;2-tert-butyl-7,7-dimethyl-1-pyrrolidin-1-yloctan-1-one;2-tert-butyl-1-(4-hydroxypiperidin-1-yl)-7,7-dimethyloctan-1-one;2-tert-butyl-1-(3-hydroxypyrrolidin-1-yl)-7,7-dimethyloctan-1-one;oxetan-3-yl 2-tert-butyl-7,7-dimethyloctanoate (CID 162233088) is 2-tert-butyl-7,7-dimethyl-1-morpholin-4-yloctan-1-one;2-tert-butyl-7,7-dimethyl-1-pyrrolidin-1-yloctan-1-one;2-tert-butyl-1-(4-hydroxypiperidin-1-yl)-7,7-dimethyloctan-1-one;2-tert-butyl-1-(3-hydroxypyrrolidin-1-yl)-7,7-dimethyloctan-1-one;oxetan-3-yl 2-tert-butyl-7,7-dimethyloctanoate.
What is the SMILES notation for 2-tert-butyl-7,7-dimethyl-1-morpholin-4-yloctan-1-one;2-tert-butyl-7,7-dimethyl-1-pyrrolidin-1-yloctan-1-one;2-tert-butyl-1-(4-hydroxypiperidin-1-yl)-7,7-dimethyloctan-1-one;2-tert-butyl-1-(3-hydroxypyrrolidin-1-yl)-7,7-dimethyloctan-1-one;oxetan-3-yl 2-tert-butyl-7,7-dimethyloctanoate?
The canonical SMILES for 2-tert-butyl-7,7-dimethyl-1-morpholin-4-yloctan-1-one;2-tert-butyl-7,7-dimethyl-1-pyrrolidin-1-yloctan-1-one;2-tert-butyl-1-(4-hydroxypiperidin-1-yl)-7,7-dimethyloctan-1-one;2-tert-butyl-1-(3-hydroxypyrrolidin-1-yl)-7,7-dimethyloctan-1-one;oxetan-3-yl 2-tert-butyl-7,7-dimethyloctanoate is CC(C)(C)CCCCC(C(=O)N1CCC(O)C1)C(C)(C)C.CC(C)(C)CCCCC(C(=O)N1CCC(O)CC1)C(C)(C)C.CC(C)(C)CCCCC(C(=O)N1CCCC1)C(C)(C)C.CC(C)(C)CCCCC(C(=O)N1CCOCC1)C(C)(C)C.CC(C)(C)CCCCC(C(=O)OC1COC1)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-7,7-dimethyl-1-morpholin-4-yloctan-1-one;2-tert-butyl-7,7-dimethyl-1-pyrrolidin-1-yloctan-1-one;2-tert-butyl-1-(4-hydroxypiperidin-1-yl)-7,7-dimethyloctan-1-one;2-tert-butyl-1-(3-hydroxypyrrolidin-1-yl)-7,7-dimethyloctan-1-one;oxetan-3-yl 2-tert-butyl-7,7-dimethyloctanoate?
The InChIKey is ZVRSCTHUPKTGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO2.2C18H35NO2.C18H35NO.C17H32O3/c1-18(2,3)12-8-7-9-16(19(4,5)6)17(22)20-13-10-15(21)11-14-20;1-17(2,3)11-8-7-9-15(18(4,5)6)16(21)19-12-10-14(20)13-19;1-17(2,3)10-8-7-9-15(18(4,5)6)16(20)19-11-13-21-14-12-19;1-17(2,3)12-8-7-11-15(18(4,5)6)16(20)19-13-9-10-14-19;1-16(2,3)10-8-7-9-14(17(4,5)6)15(18)20-13-11-19-12-13/h15-16,21H,7-14H2,1-6H3;14-15,20H,7-13H2,1-6H3;15H,7-14H2,1-6H3;15H,7-14H2,1-6H3;13-14H,7-12H2,1-6H3.
What are the key properties of 2-tert-butyl-7,7-dimethyl-1-morpholin-4-yloctan-1-one;2-tert-butyl-7,7-dimethyl-1-pyrrolidin-1-yloctan-1-one;2-tert-butyl-1-(4-hydroxypiperidin-1-yl)-7,7-dimethyloctan-1-one;2-tert-butyl-1-(3-hydroxypyrrolidin-1-yl)-7,7-dimethyloctan-1-one;oxetan-3-yl 2-tert-butyl-7,7-dimethyloctanoate?
2-tert-butyl-7,7-dimethyl-1-morpholin-4-yloctan-1-one;2-tert-butyl-7,7-dimethyl-1-pyrrolidin-1-yloctan-1-one;2-tert-butyl-1-(4-hydroxypiperidin-1-yl)-7,7-dimethyloctan-1-one;2-tert-butyl-1-(3-hydroxypyrrolidin-1-yl)-7,7-dimethyloctan-1-one;oxetan-3-yl 2-tert-butyl-7,7-dimethyloctanoate has a molecular weight of 1472.40 g/mol, XLogP of 21.28, 26 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7,7-dimethyl-1-morpholin-4-yloctan-1-one;2-tert-butyl-7,7-dimethyl-1-pyrrolidin-1-yloctan-1-one;2-tert-butyl-1-(4-hydroxypiperidin-1-yl)-7,7-dimethyloctan-1-one;2-tert-butyl-1-(3-hydroxypyrrolidin-1-yl)-7,7-dimethyloctan-1-one;oxetan-3-yl 2-tert-butyl-7,7-dimethyloctanoate is sourced from PubChem (CID 162233088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).