2-hexadecoxyethoxymethylbenzene

C25H44O2 — CID 19965709

IUPAC2-hexadecoxyethoxymethylbenzene
SMILESCCCCCCCCCCCCCCCCOCCOCc1ccccc1
InChIInChI=1S/C25H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-26-22-23-27-24-25-19-16-15-17-20-25/h15-17,19-20H,2-14,18,21-24H2,1H3
InChIKeyIEQZAQVFQATQSG-UHFFFAOYSA-N
MW376.63 g/mol
LogP7.70
Rot. Bonds20

About 2-hexadecoxyethoxymethylbenzene

2-hexadecoxyethoxymethylbenzene (PubChem CID 19965709) has the molecular formula C25H44O2 and a molecular weight of 376.63 g/mol. Its IUPAC name is 2-hexadecoxyethoxymethylbenzene.

Molecular Properties

Compound Name2-hexadecoxyethoxymethylbenzene
PubChem CID19965709
Molecular FormulaC25H44O2
Molecular Weight376.63 g/mol
Exact Mass376.33
IUPAC Name2-hexadecoxyethoxymethylbenzene
SMILESCCCCCCCCCCCCCCCCOCCOCc1ccccc1
InChIInChI=1S/C25H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-26-22-23-27-24-25-19-16-15-17-20-25/h15-17,19-20H,2-14,18,21-24H2,1H3
InChIKeyIEQZAQVFQATQSG-UHFFFAOYSA-N
XLogP7.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.63
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
azane;hexoxymethylbenzene
CID 174805489
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
formaldehyde;octoxymethylbenzene;tungsten
CID 173433681
butoxymethylbenzene;ethane
CID 145341806
[(E)-hexacos-15-enoxy]methylbenzene
CID 58900689
icos-13-ynoxymethylbenzene
CID 134976299
[(Z)-pentadec-6-enoxy]methylbenzene
CID 10591538
1-bromotridecane;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-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-dodecoxyethoxymethylbenzene;ethane;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-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 159782559
lithium;butoxymethylbenzene;hydride
CID 175482454

Frequently Asked Questions

What is the IUPAC name of 2-hexadecoxyethoxymethylbenzene?
The IUPAC name of 2-hexadecoxyethoxymethylbenzene (CID 19965709) is 2-hexadecoxyethoxymethylbenzene.
What is the SMILES notation for 2-hexadecoxyethoxymethylbenzene?
The canonical SMILES for 2-hexadecoxyethoxymethylbenzene is CCCCCCCCCCCCCCCCOCCOCc1ccccc1.
What is the InChIKey of 2-hexadecoxyethoxymethylbenzene?
The InChIKey is IEQZAQVFQATQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-26-22-23-27-24-25-19-16-15-17-20-25/h15-17,19-20H,2-14,18,21-24H2,1H3.
What are the key properties of 2-hexadecoxyethoxymethylbenzene?
2-hexadecoxyethoxymethylbenzene has a molecular weight of 376.63 g/mol, XLogP of 7.70, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexadecoxyethoxymethylbenzene is sourced from PubChem (CID 19965709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).