2-[2-[2-[2-[2-(4-aminocyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[4-(dibenzylamino)cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;methane

C48H86N2O12 — CID 165107328

IUPAC2-[2-[2-[2-[2-(4-aminocyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[4-(dibenzylamino)cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;methane
SMILESC.C.NC1CCC(OCCOCCOCCOCCOCCO)CC1.OCCOCCOCCOCCOCCOC1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C30H45NO6.C16H33NO6.2CH4/c32-15-16-33-17-18-34-19-20-35-21-22-36-23-24-37-30-13-11-29(12-14-30)31(25-27-7-3-1-4-8-27)26-28-9-5-2-6-10-28;17-15-1-3-16(4-2-15)23-14-13-22-12-11-21-10-9-20-8-7-19-6-5-18;;/h1-10,29-30,32H,11-26H2;15-16,18H,1-14,17H2;2*1H4
InChIKeyZIZQPYHGDIZMJV-UHFFFAOYSA-N
MW883.22 g/mol
LogP5.68
Rot. Bonds35

About 2-[2-[2-[2-[2-(4-aminocyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[4-(dibenzylamino)cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;methane

2-[2-[2-[2-[2-(4-aminocyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[4-(dibenzylamino)cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;methane (PubChem CID 165107328) has the molecular formula C48H86N2O12 and a molecular weight of 883.22 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(4-aminocyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[4-(dibenzylamino)cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;methane.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(4-aminocyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[4-(dibenzylamino)cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;methane
PubChem CID165107328
Molecular FormulaC48H86N2O12
Molecular Weight883.22 g/mol
Exact Mass882.62
IUPAC Name2-[2-[2-[2-[2-(4-aminocyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[4-(dibenzylamino)cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;methane
SMILESC.C.NC1CCC(OCCOCCOCCOCCOCCO)CC1.OCCOCCOCCOCCOCCOC1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C30H45NO6.C16H33NO6.2CH4/c32-15-16-33-17-18-34-19-20-35-21-22-36-23-24-37-30-13-11-29(12-14-30)31(25-27-7-3-1-4-8-27)26-28-9-5-2-6-10-28;17-15-1-3-16(4-2-15)23-14-13-22-12-11-21-10-9-20-8-7-19-6-5-18;;/h1-10,29-30,32H,11-26H2;15-16,18H,1-14,17H2;2*1H4
InChIKeyZIZQPYHGDIZMJV-UHFFFAOYSA-N
XLogP5.68
TPSA162.02 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds35
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500883.22
LogP ≤ 55.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-(4-aminocyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[4-(dibenzylamino)cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;methane?
The IUPAC name of 2-[2-[2-[2-[2-(4-aminocyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[4-(dibenzylamino)cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;methane (CID 165107328) is 2-[2-[2-[2-[2-(4-aminocyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[4-(dibenzylamino)cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;methane.
What is the SMILES notation for 2-[2-[2-[2-[2-(4-aminocyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[4-(dibenzylamino)cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;methane?
The canonical SMILES for 2-[2-[2-[2-[2-(4-aminocyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[4-(dibenzylamino)cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;methane is C.C.NC1CCC(OCCOCCOCCOCCOCCO)CC1.OCCOCCOCCOCCOCCOC1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1.
What is the InChIKey of 2-[2-[2-[2-[2-(4-aminocyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[4-(dibenzylamino)cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;methane?
The InChIKey is ZIZQPYHGDIZMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45NO6.C16H33NO6.2CH4/c32-15-16-33-17-18-34-19-20-35-21-22-36-23-24-37-30-13-11-29(12-14-30)31(25-27-7-3-1-4-8-27)26-28-9-5-2-6-10-28;17-15-1-3-16(4-2-15)23-14-13-22-12-11-21-10-9-20-8-7-19-6-5-18;;/h1-10,29-30,32H,11-26H2;15-16,18H,1-14,17H2;2*1H4.
What are the key properties of 2-[2-[2-[2-[2-(4-aminocyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[4-(dibenzylamino)cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;methane?
2-[2-[2-[2-[2-(4-aminocyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[4-(dibenzylamino)cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;methane has a molecular weight of 883.22 g/mol, XLogP of 5.68, 35 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(4-aminocyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[4-(dibenzylamino)cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;methane is sourced from PubChem (CID 165107328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).