1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]adamantane

C22H40O6 — CID 90014470

IUPAC1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]adamantane
SMILESCCOCCOCCOCCOCCOCCOC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H40O6/c1-2-23-3-4-24-5-6-25-7-8-26-9-10-27-11-12-28-22-16-19-13-20(17-22)15-21(14-19)18-22/h19-21H,2-18H2,1H3
InChIKeyDHRMFMSODLISGE-UHFFFAOYSA-N
MW400.56 g/mol
LogP3.07
Rot. Bonds17

About 1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]adamantane

1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]adamantane (PubChem CID 90014470) has the molecular formula C22H40O6 and a molecular weight of 400.56 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]adamantane.

Molecular Properties

Compound Name1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]adamantane
PubChem CID90014470
Molecular FormulaC22H40O6
Molecular Weight400.56 g/mol
Exact Mass400.28
IUPAC Name1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]adamantane
SMILESCCOCCOCCOCCOCCOCCOC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H40O6/c1-2-23-3-4-24-5-6-25-7-8-26-9-10-27-11-12-28-22-16-19-13-20(17-22)15-21(14-19)18-22/h19-21H,2-18H2,1H3
InChIKeyDHRMFMSODLISGE-UHFFFAOYSA-N
XLogP3.07
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.56
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]adamantane?
The IUPAC name of 1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]adamantane (CID 90014470) is 1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]adamantane.
What is the SMILES notation for 1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]adamantane?
The canonical SMILES for 1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]adamantane is CCOCCOCCOCCOCCOCCOC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]adamantane?
The InChIKey is DHRMFMSODLISGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O6/c1-2-23-3-4-24-5-6-25-7-8-26-9-10-27-11-12-28-22-16-19-13-20(17-22)15-21(14-19)18-22/h19-21H,2-18H2,1H3.
What are the key properties of 1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]adamantane?
1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]adamantane has a molecular weight of 400.56 g/mol, XLogP of 3.07, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]adamantane is sourced from PubChem (CID 90014470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).