5-(2-hexoxyethoxy)pentoxymethylbenzene

C20H34O3 — CID 160938924

IUPAC5-(2-hexoxyethoxy)pentoxymethylbenzene
SMILESCCCCCCOCCOCCCCCOCc1ccccc1
InChIInChI=1S/C20H34O3/c1-2-3-4-9-14-21-17-18-22-15-10-6-11-16-23-19-20-12-7-5-8-13-20/h5,7-8,12-13H,2-4,6,9-11,14-19H2,1H3
InChIKeySUFZWBFDRMKNHX-UHFFFAOYSA-N
MW322.49 g/mol
LogP4.99
Rot. Bonds16

About 5-(2-hexoxyethoxy)pentoxymethylbenzene

5-(2-hexoxyethoxy)pentoxymethylbenzene (PubChem CID 160938924) has the molecular formula C20H34O3 and a molecular weight of 322.49 g/mol. Its IUPAC name is 5-(2-hexoxyethoxy)pentoxymethylbenzene.

Molecular Properties

Compound Name5-(2-hexoxyethoxy)pentoxymethylbenzene
PubChem CID160938924
Molecular FormulaC20H34O3
Molecular Weight322.49 g/mol
Exact Mass322.25
IUPAC Name5-(2-hexoxyethoxy)pentoxymethylbenzene
SMILESCCCCCCOCCOCCCCCOCc1ccccc1
InChIInChI=1S/C20H34O3/c1-2-3-4-9-14-21-17-18-22-15-10-6-11-16-23-19-20-12-7-5-8-13-20/h5,7-8,12-13H,2-4,6,9-11,14-19H2,1H3
InChIKeySUFZWBFDRMKNHX-UHFFFAOYSA-N
XLogP4.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
2-dodecoxyethoxymethylbenzene
CID 12857482
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
[(Z)-pentadec-6-enoxy]methylbenzene
CID 10591538
icos-13-ynoxymethylbenzene
CID 134976299
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 5-(2-hexoxyethoxy)pentoxymethylbenzene?
The IUPAC name of 5-(2-hexoxyethoxy)pentoxymethylbenzene (CID 160938924) is 5-(2-hexoxyethoxy)pentoxymethylbenzene.
What is the SMILES notation for 5-(2-hexoxyethoxy)pentoxymethylbenzene?
The canonical SMILES for 5-(2-hexoxyethoxy)pentoxymethylbenzene is CCCCCCOCCOCCCCCOCc1ccccc1.
What is the InChIKey of 5-(2-hexoxyethoxy)pentoxymethylbenzene?
The InChIKey is SUFZWBFDRMKNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O3/c1-2-3-4-9-14-21-17-18-22-15-10-6-11-16-23-19-20-12-7-5-8-13-20/h5,7-8,12-13H,2-4,6,9-11,14-19H2,1H3.
What are the key properties of 5-(2-hexoxyethoxy)pentoxymethylbenzene?
5-(2-hexoxyethoxy)pentoxymethylbenzene has a molecular weight of 322.49 g/mol, XLogP of 4.99, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hexoxyethoxy)pentoxymethylbenzene is sourced from PubChem (CID 160938924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).