2-ethylhexyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-4,4-dimethyl-5-phenylhexanoate

C37H63NO4 — CID 143820323

IUPAC2-ethylhexyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-4,4-dimethyl-5-phenylhexanoate
SMILESCCCCC(CC)COC(=O)C(CC(C)(C)C(C)c1ccccc1)C(C)(C)ON1C(C)(CC)CC(=O)C(C)C1(C)CC
InChIInChI=1S/C37H63NO4/c1-13-17-21-29(14-2)26-41-33(40)31(24-34(7,8)27(5)30-22-19-18-20-23-30)35(9,10)42-38-36(11,15-3)25-32(39)28(6)37(38,12)16-4/h18-20,22-23,27-29,31H,13-17,21,24-26H2,1-12H3
InChIKeyGZQYFSKAZKSBIG-UHFFFAOYSA-N
MW585.91 g/mol
LogP9.54
Rot. Bonds16

About 2-ethylhexyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-4,4-dimethyl-5-phenylhexanoate

2-ethylhexyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-4,4-dimethyl-5-phenylhexanoate (PubChem CID 143820323) has the molecular formula C37H63NO4 and a molecular weight of 585.91 g/mol. Its IUPAC name is 2-ethylhexyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-4,4-dimethyl-5-phenylhexanoate.

Molecular Properties

Compound Name2-ethylhexyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-4,4-dimethyl-5-phenylhexanoate
PubChem CID143820323
Molecular FormulaC37H63NO4
Molecular Weight585.91 g/mol
Exact Mass585.48
IUPAC Name2-ethylhexyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-4,4-dimethyl-5-phenylhexanoate
SMILESCCCCC(CC)COC(=O)C(CC(C)(C)C(C)c1ccccc1)C(C)(C)ON1C(C)(CC)CC(=O)C(C)C1(C)CC
InChIInChI=1S/C37H63NO4/c1-13-17-21-29(14-2)26-41-33(40)31(24-34(7,8)27(5)30-22-19-18-20-23-30)35(9,10)42-38-36(11,15-3)25-32(39)28(6)37(38,12)16-4/h18-20,22-23,27-29,31H,13-17,21,24-26H2,1-12H3
InChIKeyGZQYFSKAZKSBIG-UHFFFAOYSA-N
XLogP9.54
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.91
LogP ≤ 59.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-O-(2-ethylhexyl) 1-O-(2,2,2-trifluoroethyl) 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-6-(2,2-dimethyl-3-phenylbutyl)-2,4,4,5,5-pentamethylheptanedioate
CID 143850347
1-O-dodecyl 7-O-(2-hydroxyethyl) 6-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-2-(2,2-dimethyl-3-phenylbutyl)-3,3,4,4-tetramethylheptanedioate
CID 143820320
butyl 11-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(2,2-dimethyl-3-phenylbutyl)-6-(methoxymethyl)-3,3,4,4,7,7,8,8,11-nonamethyl-10-pyridin-4-yldodecanoate
CID 90853983
7-O-tert-butyl 1-O-(2,2,2-trifluoroethyl) (2R)-2-[1-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-methylpropan-2-yl]-6-(2,2-dimethyl-3-phenylbutyl)-2,4,4,5,5-pentamethylheptanedioate
CID 162557450
butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;butyl prop-2-enoate;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one;methane
CID 162165990
butyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(4-hydroxybutoxy)ethyl]-4-phenylpentanoate;butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;4-ethenoxybutan-1-ol
CID 159097604
1-O-butyl 5-O-(3,3,4,4,4-pentafluorobutyl) 4-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(2-phenylpropyl)pentanedioate;butyl prop-2-enoate;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one;3,3,4,4,4-pentafluorobutyl prop-2-enoate
CID 159885526
2-ethylhexyl 2-cyano-2-methyl-3,3-diphenylpropanoate
CID 118643464
benzoic acid;2-ethylhexyl benzoate
CID 90214866
2-ethylhexyl 2-pyrrolidin-1-ylpropanoate
CID 141096243
2-ethylhexyl 2-hydroxy-3-phenylpropanoate
CID 56974943
bis(2-ethylhexyl) benzene-1,2-dicarboxylate;1,2-dichlorobenzene
CID 67686577

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-4,4-dimethyl-5-phenylhexanoate?
The IUPAC name of 2-ethylhexyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-4,4-dimethyl-5-phenylhexanoate (CID 143820323) is 2-ethylhexyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-4,4-dimethyl-5-phenylhexanoate.
What is the SMILES notation for 2-ethylhexyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-4,4-dimethyl-5-phenylhexanoate?
The canonical SMILES for 2-ethylhexyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-4,4-dimethyl-5-phenylhexanoate is CCCCC(CC)COC(=O)C(CC(C)(C)C(C)c1ccccc1)C(C)(C)ON1C(C)(CC)CC(=O)C(C)C1(C)CC.
What is the InChIKey of 2-ethylhexyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-4,4-dimethyl-5-phenylhexanoate?
The InChIKey is GZQYFSKAZKSBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H63NO4/c1-13-17-21-29(14-2)26-41-33(40)31(24-34(7,8)27(5)30-22-19-18-20-23-30)35(9,10)42-38-36(11,15-3)25-32(39)28(6)37(38,12)16-4/h18-20,22-23,27-29,31H,13-17,21,24-26H2,1-12H3.
What are the key properties of 2-ethylhexyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-4,4-dimethyl-5-phenylhexanoate?
2-ethylhexyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-4,4-dimethyl-5-phenylhexanoate has a molecular weight of 585.91 g/mol, XLogP of 9.54, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-4,4-dimethyl-5-phenylhexanoate is sourced from PubChem (CID 143820323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).