2-dodecoxyethoxymethylbenzene

C21H36O2 — CID 12857482

IUPAC2-dodecoxyethoxymethylbenzene
SMILESCCCCCCCCCCCCOCCOCc1ccccc1
InChIInChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-14-17-22-18-19-23-20-21-15-12-11-13-16-21/h11-13,15-16H,2-10,14,17-20H2,1H3
InChIKeyAWWSTUHJKRRJOJ-UHFFFAOYSA-N
MW320.52 g/mol
LogP6.14
Rot. Bonds16

About 2-dodecoxyethoxymethylbenzene

2-dodecoxyethoxymethylbenzene (PubChem CID 12857482) has the molecular formula C21H36O2 and a molecular weight of 320.52 g/mol. Its IUPAC name is 2-dodecoxyethoxymethylbenzene.

Molecular Properties

Compound Name2-dodecoxyethoxymethylbenzene
PubChem CID12857482
Molecular FormulaC21H36O2
Molecular Weight320.52 g/mol
Exact Mass320.27
IUPAC Name2-dodecoxyethoxymethylbenzene
SMILESCCCCCCCCCCCCOCCOCc1ccccc1
InChIInChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-14-17-22-18-19-23-20-21-15-12-11-13-16-21/h11-13,15-16H,2-10,14,17-20H2,1H3
InChIKeyAWWSTUHJKRRJOJ-UHFFFAOYSA-N
XLogP6.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.52
LogP ≤ 56.14
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-hexadecoxyethoxymethylbenzene
CID 19965709
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
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-dodecoxyethoxymethylbenzene?
The IUPAC name of 2-dodecoxyethoxymethylbenzene (CID 12857482) is 2-dodecoxyethoxymethylbenzene.
What is the SMILES notation for 2-dodecoxyethoxymethylbenzene?
The canonical SMILES for 2-dodecoxyethoxymethylbenzene is CCCCCCCCCCCCOCCOCc1ccccc1.
What is the InChIKey of 2-dodecoxyethoxymethylbenzene?
The InChIKey is AWWSTUHJKRRJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-14-17-22-18-19-23-20-21-15-12-11-13-16-21/h11-13,15-16H,2-10,14,17-20H2,1H3.
What are the key properties of 2-dodecoxyethoxymethylbenzene?
2-dodecoxyethoxymethylbenzene has a molecular weight of 320.52 g/mol, XLogP of 6.14, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecoxyethoxymethylbenzene is sourced from PubChem (CID 12857482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).