2-[8-nonan-5-yloxynon-8-enyl(7-nonoxyheptyl)amino]ethanol

C36H73NO3 — CID 166923342

IUPAC2-[8-nonan-5-yloxynon-8-enyl(7-nonoxyheptyl)amino]ethanol
SMILESC=C(CCCCCCCN(CCO)CCCCCCCOCCCCCCCCC)OC(CCCC)CCCC
InChIInChI=1S/C36H73NO3/c1-5-8-11-12-13-19-24-33-39-34-25-20-15-18-23-30-37(31-32-38)29-22-17-14-16-21-26-35(4)40-36(27-9-6-2)28-10-7-3/h36,38H,4-34H2,1-3H3
InChIKeyYXAPZVQLUYIPTQ-UHFFFAOYSA-N
MW567.98 g/mol
LogP10.62
Rot. Bonds34

About 2-[8-nonan-5-yloxynon-8-enyl(7-nonoxyheptyl)amino]ethanol

2-[8-nonan-5-yloxynon-8-enyl(7-nonoxyheptyl)amino]ethanol (PubChem CID 166923342) has the molecular formula C36H73NO3 and a molecular weight of 567.98 g/mol. Its IUPAC name is 2-[8-nonan-5-yloxynon-8-enyl(7-nonoxyheptyl)amino]ethanol.

Molecular Properties

Compound Name2-[8-nonan-5-yloxynon-8-enyl(7-nonoxyheptyl)amino]ethanol
PubChem CID166923342
Molecular FormulaC36H73NO3
Molecular Weight567.98 g/mol
Exact Mass567.56
IUPAC Name2-[8-nonan-5-yloxynon-8-enyl(7-nonoxyheptyl)amino]ethanol
SMILESC=C(CCCCCCCN(CCO)CCCCCCCOCCCCCCCCC)OC(CCCC)CCCC
InChIInChI=1S/C36H73NO3/c1-5-8-11-12-13-19-24-33-39-34-25-20-15-18-23-30-37(31-32-38)29-22-17-14-16-21-26-35(4)40-36(27-9-6-2)28-10-7-3/h36,38H,4-34H2,1-3H3
InChIKeyYXAPZVQLUYIPTQ-UHFFFAOYSA-N
XLogP10.62
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds34
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.98
LogP ≤ 510.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[8-nonan-5-yloxynon-8-enyl(7-nonoxyheptyl)amino]ethanol?
The IUPAC name of 2-[8-nonan-5-yloxynon-8-enyl(7-nonoxyheptyl)amino]ethanol (CID 166923342) is 2-[8-nonan-5-yloxynon-8-enyl(7-nonoxyheptyl)amino]ethanol.
What is the SMILES notation for 2-[8-nonan-5-yloxynon-8-enyl(7-nonoxyheptyl)amino]ethanol?
The canonical SMILES for 2-[8-nonan-5-yloxynon-8-enyl(7-nonoxyheptyl)amino]ethanol is C=C(CCCCCCCN(CCO)CCCCCCCOCCCCCCCCC)OC(CCCC)CCCC.
What is the InChIKey of 2-[8-nonan-5-yloxynon-8-enyl(7-nonoxyheptyl)amino]ethanol?
The InChIKey is YXAPZVQLUYIPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H73NO3/c1-5-8-11-12-13-19-24-33-39-34-25-20-15-18-23-30-37(31-32-38)29-22-17-14-16-21-26-35(4)40-36(27-9-6-2)28-10-7-3/h36,38H,4-34H2,1-3H3.
What are the key properties of 2-[8-nonan-5-yloxynon-8-enyl(7-nonoxyheptyl)amino]ethanol?
2-[8-nonan-5-yloxynon-8-enyl(7-nonoxyheptyl)amino]ethanol has a molecular weight of 567.98 g/mol, XLogP of 10.62, 34 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-nonan-5-yloxynon-8-enyl(7-nonoxyheptyl)amino]ethanol is sourced from PubChem (CID 166923342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).