1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pent-4-en-2-ol

C21H42O10 — CID 87081278

IUPAC1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pent-4-en-2-ol
SMILESC=CCC(O)COCCOCCOCCOCCOCCOCCOCCOCCO
InChIInChI=1S/C21H42O10/c1-2-3-21(23)20-31-19-18-30-17-16-29-15-14-28-13-12-27-11-10-26-9-8-25-7-6-24-5-4-22/h2,21-23H,1,3-20H2
InChIKeyDXSABXUYTGNYAR-UHFFFAOYSA-N
MW454.56 g/mol
LogP0.05
Rot. Bonds27

About 1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pent-4-en-2-ol

1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pent-4-en-2-ol (PubChem CID 87081278) has the molecular formula C21H42O10 and a molecular weight of 454.56 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pent-4-en-2-ol.

Molecular Properties

Compound Name1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pent-4-en-2-ol
PubChem CID87081278
Molecular FormulaC21H42O10
Molecular Weight454.56 g/mol
Exact Mass454.28
IUPAC Name1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pent-4-en-2-ol
SMILESC=CCC(O)COCCOCCOCCOCCOCCOCCOCCOCCO
InChIInChI=1S/C21H42O10/c1-2-3-21(23)20-31-19-18-30-17-16-29-15-14-28-13-12-27-11-10-26-9-8-25-7-6-24-5-4-22/h2,21-23H,1,3-20H2
InChIKeyDXSABXUYTGNYAR-UHFFFAOYSA-N
XLogP0.05
TPSA114.30 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds27
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.56
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pent-4-en-2-ol?
The IUPAC name of 1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pent-4-en-2-ol (CID 87081278) is 1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pent-4-en-2-ol.
What is the SMILES notation for 1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pent-4-en-2-ol?
The canonical SMILES for 1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pent-4-en-2-ol is C=CCC(O)COCCOCCOCCOCCOCCOCCOCCOCCO.
What is the InChIKey of 1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pent-4-en-2-ol?
The InChIKey is DXSABXUYTGNYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O10/c1-2-3-21(23)20-31-19-18-30-17-16-29-15-14-28-13-12-27-11-10-26-9-8-25-7-6-24-5-4-22/h2,21-23H,1,3-20H2.
What are the key properties of 1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pent-4-en-2-ol?
1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pent-4-en-2-ol has a molecular weight of 454.56 g/mol, XLogP of 0.05, 27 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pent-4-en-2-ol is sourced from PubChem (CID 87081278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).