1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]undecane

C27H56O9 — CID 175685461

IUPAC1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]undecane
SMILESCCCCCCCCCCCOOCCOCCOCCOCCOCCOCCOCCOCC
InChIInChI=1S/C27H56O9/c1-3-5-6-7-8-9-10-11-12-13-35-36-27-26-34-25-24-33-23-22-32-21-20-31-19-18-30-17-16-29-15-14-28-4-2/h3-27H2,1-2H3
InChIKeyMPAVLQYTGJAZFL-UHFFFAOYSA-N
MW524.74 g/mol
LogP4.60
Rot. Bonds33

About 1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]undecane

1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]undecane (PubChem CID 175685461) has the molecular formula C27H56O9 and a molecular weight of 524.74 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]undecane.

Molecular Properties

Compound Name1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]undecane
PubChem CID175685461
Molecular FormulaC27H56O9
Molecular Weight524.74 g/mol
Exact Mass524.39
IUPAC Name1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]undecane
SMILESCCCCCCCCCCCOOCCOCCOCCOCCOCCOCCOCCOCC
InChIInChI=1S/C27H56O9/c1-3-5-6-7-8-9-10-11-12-13-35-36-27-26-34-25-24-33-23-22-32-21-20-31-19-18-30-17-16-29-15-14-28-4-2/h3-27H2,1-2H3
InChIKeyMPAVLQYTGJAZFL-UHFFFAOYSA-N
XLogP4.60
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds33
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.74
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]octane
CID 175685781
1-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]dodecane
CID 175686372
1-(3-ethoxypropoxy)tetradecane
CID 91693148
1-octylperoxynonane
CID 151564626
1-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]octane
CID 86197097
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octadecane
CID 86345710
1-(2-octoxyethoxy)octane
CID 12711862
1-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151767279
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
1-[2-(2-heptoxyethoxy)ethoxy]heptane
CID 14402381
1-(2-decoxyethoxy)decane
CID 14009354

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]undecane?
The IUPAC name of 1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]undecane (CID 175685461) is 1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]undecane.
What is the SMILES notation for 1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]undecane?
The canonical SMILES for 1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]undecane is CCCCCCCCCCCOOCCOCCOCCOCCOCCOCCOCCOCC.
What is the InChIKey of 1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]undecane?
The InChIKey is MPAVLQYTGJAZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56O9/c1-3-5-6-7-8-9-10-11-12-13-35-36-27-26-34-25-24-33-23-22-32-21-20-31-19-18-30-17-16-29-15-14-28-4-2/h3-27H2,1-2H3.
What are the key properties of 1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]undecane?
1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]undecane has a molecular weight of 524.74 g/mol, XLogP of 4.60, 33 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]undecane is sourced from PubChem (CID 175685461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).