4-[6-hydroxy-3,4,4,5,5-pentamethyl-2-[methyl(propan-2-yl)amino]octyl]cyclohexan-1-ol

C23H47NO2 — CID 152786519

IUPAC4-[6-hydroxy-3,4,4,5,5-pentamethyl-2-[methyl(propan-2-yl)amino]octyl]cyclohexan-1-ol
SMILESCCC(O)C(C)(C)C(C)(C)C(C)C(CC1CCC(O)CC1)N(C)C(C)C
InChIInChI=1S/C23H47NO2/c1-10-21(26)23(7,8)22(5,6)17(4)20(24(9)16(2)3)15-18-11-13-19(25)14-12-18/h16-21,25-26H,10-15H2,1-9H3
InChIKeyRYQOPQIVAOYJSD-UHFFFAOYSA-N
MW369.63 g/mol
LogP5.10
Rot. Bonds9

About 4-[6-hydroxy-3,4,4,5,5-pentamethyl-2-[methyl(propan-2-yl)amino]octyl]cyclohexan-1-ol

4-[6-hydroxy-3,4,4,5,5-pentamethyl-2-[methyl(propan-2-yl)amino]octyl]cyclohexan-1-ol (PubChem CID 152786519) has the molecular formula C23H47NO2 and a molecular weight of 369.63 g/mol. Its IUPAC name is 4-[6-hydroxy-3,4,4,5,5-pentamethyl-2-[methyl(propan-2-yl)amino]octyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[6-hydroxy-3,4,4,5,5-pentamethyl-2-[methyl(propan-2-yl)amino]octyl]cyclohexan-1-ol
PubChem CID152786519
Molecular FormulaC23H47NO2
Molecular Weight369.63 g/mol
Exact Mass369.36
IUPAC Name4-[6-hydroxy-3,4,4,5,5-pentamethyl-2-[methyl(propan-2-yl)amino]octyl]cyclohexan-1-ol
SMILESCCC(O)C(C)(C)C(C)(C)C(C)C(CC1CCC(O)CC1)N(C)C(C)C
InChIInChI=1S/C23H47NO2/c1-10-21(26)23(7,8)22(5,6)17(4)20(24(9)16(2)3)15-18-11-13-19(25)14-12-18/h16-21,25-26H,10-15H2,1-9H3
InChIKeyRYQOPQIVAOYJSD-UHFFFAOYSA-N
XLogP5.10
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.63
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[6-hydroxy-3,4,4,5,5-pentamethyl-2-[methyl(propan-2-yl)amino]octyl]cyclohexan-1-ol?
The IUPAC name of 4-[6-hydroxy-3,4,4,5,5-pentamethyl-2-[methyl(propan-2-yl)amino]octyl]cyclohexan-1-ol (CID 152786519) is 4-[6-hydroxy-3,4,4,5,5-pentamethyl-2-[methyl(propan-2-yl)amino]octyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[6-hydroxy-3,4,4,5,5-pentamethyl-2-[methyl(propan-2-yl)amino]octyl]cyclohexan-1-ol?
The canonical SMILES for 4-[6-hydroxy-3,4,4,5,5-pentamethyl-2-[methyl(propan-2-yl)amino]octyl]cyclohexan-1-ol is CCC(O)C(C)(C)C(C)(C)C(C)C(CC1CCC(O)CC1)N(C)C(C)C.
What is the InChIKey of 4-[6-hydroxy-3,4,4,5,5-pentamethyl-2-[methyl(propan-2-yl)amino]octyl]cyclohexan-1-ol?
The InChIKey is RYQOPQIVAOYJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47NO2/c1-10-21(26)23(7,8)22(5,6)17(4)20(24(9)16(2)3)15-18-11-13-19(25)14-12-18/h16-21,25-26H,10-15H2,1-9H3.
What are the key properties of 4-[6-hydroxy-3,4,4,5,5-pentamethyl-2-[methyl(propan-2-yl)amino]octyl]cyclohexan-1-ol?
4-[6-hydroxy-3,4,4,5,5-pentamethyl-2-[methyl(propan-2-yl)amino]octyl]cyclohexan-1-ol has a molecular weight of 369.63 g/mol, XLogP of 5.10, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-hydroxy-3,4,4,5,5-pentamethyl-2-[methyl(propan-2-yl)amino]octyl]cyclohexan-1-ol is sourced from PubChem (CID 152786519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).