1,2,2,6,6-pentamethyl-4-[8-[(3,3,4,5,5-pentamethylcyclohexyl)oxymethoxy]octoxymethoxy]piperidine

C31H61NO4 — CID 91317203

IUPAC1,2,2,6,6-pentamethyl-4-[8-[(3,3,4,5,5-pentamethylcyclohexyl)oxymethoxy]octoxymethoxy]piperidine
SMILESCC1C(C)(C)CC(OCOCCCCCCCCOCOC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C31H61NO4/c1-25-28(2,3)19-26(20-29(25,4)5)35-23-33-17-15-13-11-12-14-16-18-34-24-36-27-21-30(6,7)32(10)31(8,9)22-27/h25-27H,11-24H2,1-10H3
InChIKeyGEQCRQGTAVOKFX-UHFFFAOYSA-N
MW511.83 g/mol
LogP7.81
Rot. Bonds15

About 1,2,2,6,6-pentamethyl-4-[8-[(3,3,4,5,5-pentamethylcyclohexyl)oxymethoxy]octoxymethoxy]piperidine

1,2,2,6,6-pentamethyl-4-[8-[(3,3,4,5,5-pentamethylcyclohexyl)oxymethoxy]octoxymethoxy]piperidine (PubChem CID 91317203) has the molecular formula C31H61NO4 and a molecular weight of 511.83 g/mol. Its IUPAC name is 1,2,2,6,6-pentamethyl-4-[8-[(3,3,4,5,5-pentamethylcyclohexyl)oxymethoxy]octoxymethoxy]piperidine.

Molecular Properties

Compound Name1,2,2,6,6-pentamethyl-4-[8-[(3,3,4,5,5-pentamethylcyclohexyl)oxymethoxy]octoxymethoxy]piperidine
PubChem CID91317203
Molecular FormulaC31H61NO4
Molecular Weight511.83 g/mol
Exact Mass511.46
IUPAC Name1,2,2,6,6-pentamethyl-4-[8-[(3,3,4,5,5-pentamethylcyclohexyl)oxymethoxy]octoxymethoxy]piperidine
SMILESCC1C(C)(C)CC(OCOCCCCCCCCOCOC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C31H61NO4/c1-25-28(2,3)19-26(20-29(25,4)5)35-23-33-17-15-13-11-12-14-16-18-34-24-36-27-21-30(6,7)32(10)31(8,9)22-27/h25-27H,11-24H2,1-10H3
InChIKeyGEQCRQGTAVOKFX-UHFFFAOYSA-N
XLogP7.81
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.83
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,6,6-pentamethyl-4-[8-[(3,3,4,5,5-pentamethylcyclohexyl)oxymethoxy]octoxymethoxy]piperidine?
The IUPAC name of 1,2,2,6,6-pentamethyl-4-[8-[(3,3,4,5,5-pentamethylcyclohexyl)oxymethoxy]octoxymethoxy]piperidine (CID 91317203) is 1,2,2,6,6-pentamethyl-4-[8-[(3,3,4,5,5-pentamethylcyclohexyl)oxymethoxy]octoxymethoxy]piperidine.
What is the SMILES notation for 1,2,2,6,6-pentamethyl-4-[8-[(3,3,4,5,5-pentamethylcyclohexyl)oxymethoxy]octoxymethoxy]piperidine?
The canonical SMILES for 1,2,2,6,6-pentamethyl-4-[8-[(3,3,4,5,5-pentamethylcyclohexyl)oxymethoxy]octoxymethoxy]piperidine is CC1C(C)(C)CC(OCOCCCCCCCCOCOC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.
What is the InChIKey of 1,2,2,6,6-pentamethyl-4-[8-[(3,3,4,5,5-pentamethylcyclohexyl)oxymethoxy]octoxymethoxy]piperidine?
The InChIKey is GEQCRQGTAVOKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H61NO4/c1-25-28(2,3)19-26(20-29(25,4)5)35-23-33-17-15-13-11-12-14-16-18-34-24-36-27-21-30(6,7)32(10)31(8,9)22-27/h25-27H,11-24H2,1-10H3.
What are the key properties of 1,2,2,6,6-pentamethyl-4-[8-[(3,3,4,5,5-pentamethylcyclohexyl)oxymethoxy]octoxymethoxy]piperidine?
1,2,2,6,6-pentamethyl-4-[8-[(3,3,4,5,5-pentamethylcyclohexyl)oxymethoxy]octoxymethoxy]piperidine has a molecular weight of 511.83 g/mol, XLogP of 7.81, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,6,6-pentamethyl-4-[8-[(3,3,4,5,5-pentamethylcyclohexyl)oxymethoxy]octoxymethoxy]piperidine is sourced from PubChem (CID 91317203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).