2-pentoxyethylbenzene

C13H20O — CID 3022447

IUPAC2-pentoxyethylbenzene
SMILESCCCCCOCCc1ccccc1
InChIInChI=1S/C13H20O/c1-2-3-7-11-14-12-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3
InChIKeyHNIRLTDJIGVHOG-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.44
Rot. Bonds7

About 2-pentoxyethylbenzene

2-pentoxyethylbenzene (PubChem CID 3022447) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 2-pentoxyethylbenzene.

Molecular Properties

Compound Name2-pentoxyethylbenzene
PubChem CID3022447
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name2-pentoxyethylbenzene
SMILESCCCCCOCCc1ccccc1
InChIInChI=1S/C13H20O/c1-2-3-7-11-14-12-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3
InChIKeyHNIRLTDJIGVHOG-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-decoxypropylbenzene
CID 150065328
4-octadecoxybutylbenzene
CID 70977182
5-pentoxypentylbenzene
CID 19046566
4-heptoxybutylbenzene;methane
CID 158099440
carbanide;4-heptoxybutylbenzene
CID 158344773
10-butoxydecylbenzene
CID 151496754
2-(butoxymethoxy)ethylbenzene
CID 14640423
4-heptoxybutylbenzene;octane;4-phenylbutan-1-ol
CID 157211945
6-propoxyhexylbenzene
CID 54255597
14-propoxytetradecylbenzene
CID 126562833
4-heptoxybutylbenzene;methane;octane;4-phenylbutan-1-ol
CID 157096254
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460

Frequently Asked Questions

What is the IUPAC name of 2-pentoxyethylbenzene?
The IUPAC name of 2-pentoxyethylbenzene (CID 3022447) is 2-pentoxyethylbenzene.
What is the SMILES notation for 2-pentoxyethylbenzene?
The canonical SMILES for 2-pentoxyethylbenzene is CCCCCOCCc1ccccc1.
What is the InChIKey of 2-pentoxyethylbenzene?
The InChIKey is HNIRLTDJIGVHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-2-3-7-11-14-12-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3.
What are the key properties of 2-pentoxyethylbenzene?
2-pentoxyethylbenzene has a molecular weight of 192.30 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentoxyethylbenzene is sourced from PubChem (CID 3022447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).