2-[(E)-2-[2-(2-octoxyethoxy)ethoxy]ethenoxy]ethanol

C16H32O5 — CID 42626936

IUPAC2-[(E)-2-[2-(2-octoxyethoxy)ethoxy]ethenoxy]ethanol
SMILESCCCCCCCCOCCOCCO/C=C/OCCO
InChIInChI=1S/C16H32O5/c1-2-3-4-5-6-7-9-18-11-13-20-15-16-21-14-12-19-10-8-17/h12,14,17H,2-11,13,15-16H2,1H3/b14-12+
InChIKeyMLDBDOYOGXNOQS-WYMLVPIESA-N
MW304.43 g/mol
LogP2.88
Rot. Bonds17

About 2-[(E)-2-[2-(2-octoxyethoxy)ethoxy]ethenoxy]ethanol

2-[(E)-2-[2-(2-octoxyethoxy)ethoxy]ethenoxy]ethanol (PubChem CID 42626936) has the molecular formula C16H32O5 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-[(E)-2-[2-(2-octoxyethoxy)ethoxy]ethenoxy]ethanol.

Molecular Properties

Compound Name2-[(E)-2-[2-(2-octoxyethoxy)ethoxy]ethenoxy]ethanol
PubChem CID42626936
Molecular FormulaC16H32O5
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-[(E)-2-[2-(2-octoxyethoxy)ethoxy]ethenoxy]ethanol
SMILESCCCCCCCCOCCOCCO/C=C/OCCO
InChIInChI=1S/C16H32O5/c1-2-3-4-5-6-7-9-18-11-13-20-15-16-21-14-12-19-10-8-17/h12,14,17H,2-11,13,15-16H2,1H3/b14-12+
InChIKeyMLDBDOYOGXNOQS-WYMLVPIESA-N
XLogP2.88
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-(2-heptadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 15607546
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595918
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594676
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595729
2-[2-(12-octadecoxydodecoxy)ethoxy]ethanol
CID 169016922
2-[2-(2-hexadecoxyethoxy)ethoxy]ethanol
CID 4639427
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-nonoxynonane
CID 22211981
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-pentadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139597034
2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;hydrobromide
CID 172741236
2-dodecoxyethanol
CID 24750
2-heptoxyethanol
CID 23889
2-tetradecoxyethanol
CID 16491

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[2-(2-octoxyethoxy)ethoxy]ethenoxy]ethanol?
The IUPAC name of 2-[(E)-2-[2-(2-octoxyethoxy)ethoxy]ethenoxy]ethanol (CID 42626936) is 2-[(E)-2-[2-(2-octoxyethoxy)ethoxy]ethenoxy]ethanol.
What is the SMILES notation for 2-[(E)-2-[2-(2-octoxyethoxy)ethoxy]ethenoxy]ethanol?
The canonical SMILES for 2-[(E)-2-[2-(2-octoxyethoxy)ethoxy]ethenoxy]ethanol is CCCCCCCCOCCOCCO/C=C/OCCO.
What is the InChIKey of 2-[(E)-2-[2-(2-octoxyethoxy)ethoxy]ethenoxy]ethanol?
The InChIKey is MLDBDOYOGXNOQS-WYMLVPIESA-N. The full InChI is InChI=1S/C16H32O5/c1-2-3-4-5-6-7-9-18-11-13-20-15-16-21-14-12-19-10-8-17/h12,14,17H,2-11,13,15-16H2,1H3/b14-12+.
What are the key properties of 2-[(E)-2-[2-(2-octoxyethoxy)ethoxy]ethenoxy]ethanol?
2-[(E)-2-[2-(2-octoxyethoxy)ethoxy]ethenoxy]ethanol has a molecular weight of 304.43 g/mol, XLogP of 2.88, 17 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[2-(2-octoxyethoxy)ethoxy]ethenoxy]ethanol is sourced from PubChem (CID 42626936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).