2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane

C38H68O15 — CID 162640826

IUPAC2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
SMILESc1ccc(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC2CCCCO2)cc1
InChIInChI=1S/C38H68O15/c1-2-6-37(7-3-1)36-51-33-32-49-29-28-47-25-24-45-21-20-43-17-16-41-13-12-39-10-11-40-14-15-42-18-19-44-22-23-46-26-27-48-30-31-50-34-35-53-38-8-4-5-9-52-38/h1-3,6-7,38H,4-5,8-36H2
InChIKeySIYUNGRNHIEWBN-UHFFFAOYSA-N
MW764.95 g/mol
LogP2.95
Rot. Bonds42

About 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane (PubChem CID 162640826) has the molecular formula C38H68O15 and a molecular weight of 764.95 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
PubChem CID162640826
Molecular FormulaC38H68O15
Molecular Weight764.95 g/mol
Exact Mass764.46
IUPAC Name2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
SMILESc1ccc(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC2CCCCO2)cc1
InChIInChI=1S/C38H68O15/c1-2-6-37(7-3-1)36-51-33-32-49-29-28-47-25-24-45-21-20-43-17-16-41-13-12-39-10-11-40-14-15-42-18-19-44-22-23-46-26-27-48-30-31-50-34-35-53-38-8-4-5-9-52-38/h1-3,6-7,38H,4-5,8-36H2
InChIKeySIYUNGRNHIEWBN-UHFFFAOYSA-N
XLogP2.95
TPSA138.45 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds42
Heavy Atoms53
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.95
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane (CID 162640826) is 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane is c1ccc(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC2CCCCO2)cc1.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane?
The InChIKey is SIYUNGRNHIEWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H68O15/c1-2-6-37(7-3-1)36-51-33-32-49-29-28-47-25-24-45-21-20-43-17-16-41-13-12-39-10-11-40-14-15-42-18-19-44-22-23-46-26-27-48-30-31-50-34-35-53-38-8-4-5-9-52-38/h1-3,6-7,38H,4-5,8-36H2.
What are the key properties of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane?
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane has a molecular weight of 764.95 g/mol, XLogP of 2.95, 42 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane is sourced from PubChem (CID 162640826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).