2,6-ditert-butyl-4-[2-[5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]oxan-2-yl]ethyl]phenol;2,6-ditert-butyl-3-[2-[4-[5-(2,2,6,6-tetramethylpiperidin-4-yl)oxan-2-yl]cyclohexyl]ethyl]phenol

C72H122N2O4 — CID 158119277

IUPAC2,6-ditert-butyl-4-[2-[5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]oxan-2-yl]ethyl]phenol;2,6-ditert-butyl-3-[2-[4-[5-(2,2,6,6-tetramethylpiperidin-4-yl)oxan-2-yl]cyclohexyl]ethyl]phenol
SMILESCC1(C)CC(C2CCC(C3CCC(CCc4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)OC3)CC2)CC(C)(C)N1.CC1(C)CC(C2CCC(C3CCC(CCc4ccc(C(C)(C)C)c(O)c4C(C)(C)C)CC3)OC2)CC(C)(C)N1
InChIInChI=1S/2C36H61NO2/c1-33(2,3)30-19-24(20-31(32(30)38)34(4,5)6)11-17-29-18-16-27(23-39-29)25-12-14-26(15-13-25)28-21-35(7,8)37-36(9,10)22-28;1-33(2,3)29-19-17-26(31(32(29)38)34(4,5)6)16-13-24-11-14-25(15-12-24)30-20-18-27(23-39-30)28-21-35(7,8)37-36(9,10)22-28/h19-20,25-29,37-38H,11-18,21-23H2,1-10H3;17,19,24-25,27-28,30,37-38H,11-16,18,20-23H2,1-10H3
InChIKeyFRKFMRYZGCKYET-UHFFFAOYSA-N
MW1079.78 g/mol
LogP18.16
Rot. Bonds10

About 2,6-ditert-butyl-4-[2-[5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]oxan-2-yl]ethyl]phenol;2,6-ditert-butyl-3-[2-[4-[5-(2,2,6,6-tetramethylpiperidin-4-yl)oxan-2-yl]cyclohexyl]ethyl]phenol

2,6-ditert-butyl-4-[2-[5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]oxan-2-yl]ethyl]phenol;2,6-ditert-butyl-3-[2-[4-[5-(2,2,6,6-tetramethylpiperidin-4-yl)oxan-2-yl]cyclohexyl]ethyl]phenol (PubChem CID 158119277) has the molecular formula C72H122N2O4 and a molecular weight of 1079.78 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[2-[5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]oxan-2-yl]ethyl]phenol;2,6-ditert-butyl-3-[2-[4-[5-(2,2,6,6-tetramethylpiperidin-4-yl)oxan-2-yl]cyclohexyl]ethyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[2-[5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]oxan-2-yl]ethyl]phenol;2,6-ditert-butyl-3-[2-[4-[5-(2,2,6,6-tetramethylpiperidin-4-yl)oxan-2-yl]cyclohexyl]ethyl]phenol
PubChem CID158119277
Molecular FormulaC72H122N2O4
Molecular Weight1079.78 g/mol
Exact Mass1078.94
IUPAC Name2,6-ditert-butyl-4-[2-[5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]oxan-2-yl]ethyl]phenol;2,6-ditert-butyl-3-[2-[4-[5-(2,2,6,6-tetramethylpiperidin-4-yl)oxan-2-yl]cyclohexyl]ethyl]phenol
SMILESCC1(C)CC(C2CCC(C3CCC(CCc4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)OC3)CC2)CC(C)(C)N1.CC1(C)CC(C2CCC(C3CCC(CCc4ccc(C(C)(C)C)c(O)c4C(C)(C)C)CC3)OC2)CC(C)(C)N1
InChIInChI=1S/2C36H61NO2/c1-33(2,3)30-19-24(20-31(32(30)38)34(4,5)6)11-17-29-18-16-27(23-39-29)25-12-14-26(15-13-25)28-21-35(7,8)37-36(9,10)22-28;1-33(2,3)29-19-17-26(31(32(29)38)34(4,5)6)16-13-24-11-14-25(15-12-24)30-20-18-27(23-39-30)28-21-35(7,8)37-36(9,10)22-28/h19-20,25-29,37-38H,11-18,21-23H2,1-10H3;17,19,24-25,27-28,30,37-38H,11-16,18,20-23H2,1-10H3
InChIKeyFRKFMRYZGCKYET-UHFFFAOYSA-N
XLogP18.16
TPSA82.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001079.78
LogP ≤ 518.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2,6-ditert-butyl-4-[2-[5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]oxan-2-yl]ethyl]phenol;2,6-ditert-butyl-3-[2-[4-[5-(2,2,6,6-tetramethylpiperidin-4-yl)oxan-2-yl]cyclohexyl]ethyl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[2-[5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]oxan-2-yl]ethyl]phenol;2,6-ditert-butyl-3-[2-[4-[5-(2,2,6,6-tetramethylpiperidin-4-yl)oxan-2-yl]cyclohexyl]ethyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[2-[5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]oxan-2-yl]ethyl]phenol;2,6-ditert-butyl-3-[2-[4-[5-(2,2,6,6-tetramethylpiperidin-4-yl)oxan-2-yl]cyclohexyl]ethyl]phenol (CID 158119277) is 2,6-ditert-butyl-4-[2-[5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]oxan-2-yl]ethyl]phenol;2,6-ditert-butyl-3-[2-[4-[5-(2,2,6,6-tetramethylpiperidin-4-yl)oxan-2-yl]cyclohexyl]ethyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[2-[5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]oxan-2-yl]ethyl]phenol;2,6-ditert-butyl-3-[2-[4-[5-(2,2,6,6-tetramethylpiperidin-4-yl)oxan-2-yl]cyclohexyl]ethyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[2-[5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]oxan-2-yl]ethyl]phenol;2,6-ditert-butyl-3-[2-[4-[5-(2,2,6,6-tetramethylpiperidin-4-yl)oxan-2-yl]cyclohexyl]ethyl]phenol is CC1(C)CC(C2CCC(C3CCC(CCc4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)OC3)CC2)CC(C)(C)N1.CC1(C)CC(C2CCC(C3CCC(CCc4ccc(C(C)(C)C)c(O)c4C(C)(C)C)CC3)OC2)CC(C)(C)N1.
What is the InChIKey of 2,6-ditert-butyl-4-[2-[5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]oxan-2-yl]ethyl]phenol;2,6-ditert-butyl-3-[2-[4-[5-(2,2,6,6-tetramethylpiperidin-4-yl)oxan-2-yl]cyclohexyl]ethyl]phenol?
The InChIKey is FRKFMRYZGCKYET-UHFFFAOYSA-N. The full InChI is InChI=1S/2C36H61NO2/c1-33(2,3)30-19-24(20-31(32(30)38)34(4,5)6)11-17-29-18-16-27(23-39-29)25-12-14-26(15-13-25)28-21-35(7,8)37-36(9,10)22-28;1-33(2,3)29-19-17-26(31(32(29)38)34(4,5)6)16-13-24-11-14-25(15-12-24)30-20-18-27(23-39-30)28-21-35(7,8)37-36(9,10)22-28/h19-20,25-29,37-38H,11-18,21-23H2,1-10H3;17,19,24-25,27-28,30,37-38H,11-16,18,20-23H2,1-10H3.
What are the key properties of 2,6-ditert-butyl-4-[2-[5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]oxan-2-yl]ethyl]phenol;2,6-ditert-butyl-3-[2-[4-[5-(2,2,6,6-tetramethylpiperidin-4-yl)oxan-2-yl]cyclohexyl]ethyl]phenol?
2,6-ditert-butyl-4-[2-[5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]oxan-2-yl]ethyl]phenol;2,6-ditert-butyl-3-[2-[4-[5-(2,2,6,6-tetramethylpiperidin-4-yl)oxan-2-yl]cyclohexyl]ethyl]phenol has a molecular weight of 1079.78 g/mol, XLogP of 18.16, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[2-[5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]oxan-2-yl]ethyl]phenol;2,6-ditert-butyl-3-[2-[4-[5-(2,2,6,6-tetramethylpiperidin-4-yl)oxan-2-yl]cyclohexyl]ethyl]phenol is sourced from PubChem (CID 158119277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).