2-pentoxyethoxybenzene

C13H20O2 — CID 54431229

IUPAC2-pentoxyethoxybenzene
SMILESCCCCCOCCOc1ccccc1
InChIInChI=1S/C13H20O2/c1-2-3-7-10-14-11-12-15-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3
InChIKeyWBUDMDMVWSMKMJ-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.27
Rot. Bonds8

About 2-pentoxyethoxybenzene

2-pentoxyethoxybenzene (PubChem CID 54431229) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-pentoxyethoxybenzene.

Molecular Properties

Compound Name2-pentoxyethoxybenzene
PubChem CID54431229
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-pentoxyethoxybenzene
SMILESCCCCCOCCOc1ccccc1
InChIInChI=1S/C13H20O2/c1-2-3-7-10-14-11-12-15-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3
InChIKeyWBUDMDMVWSMKMJ-UHFFFAOYSA-N
XLogP3.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.27
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-dodecoxyethoxybenzene
CID 67831231
2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 22762214
pentoxybenzene;undecane
CID 174778179
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
1,3-bis(2-hexoxyethoxy)benzene
CID 118037379
hexatriacontoxymethoxybenzene
CID 21131247
nonoxymethoxybenzene
CID 151123684
2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;ethylbenzene;2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 91565565
2-(2-dodecoxyethoxy)ethanol;2-(2-dodecoxyethoxy)ethoxybenzene;iodobenzene
CID 158591710
ethene;nonoxybenzene;sulfane
CID 174919596
dodecoxybenzene;ethene;hydrate
CID 174804981
N-[2-(2-phenoxyethoxy)ethyl]hexan-1-amine
CID 62564835

Frequently Asked Questions

What is the IUPAC name of 2-pentoxyethoxybenzene?
The IUPAC name of 2-pentoxyethoxybenzene (CID 54431229) is 2-pentoxyethoxybenzene.
What is the SMILES notation for 2-pentoxyethoxybenzene?
The canonical SMILES for 2-pentoxyethoxybenzene is CCCCCOCCOc1ccccc1.
What is the InChIKey of 2-pentoxyethoxybenzene?
The InChIKey is WBUDMDMVWSMKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-2-3-7-10-14-11-12-15-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3.
What are the key properties of 2-pentoxyethoxybenzene?
2-pentoxyethoxybenzene has a molecular weight of 208.30 g/mol, XLogP of 3.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentoxyethoxybenzene is sourced from PubChem (CID 54431229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).