5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene

C26H38O4 — CID 135358353

IUPAC5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
SMILESc1ccc(COCCCCCOCCOCCCCCOCc2ccccc2)cc1
InChIInChI=1S/C26H38O4/c1-5-13-25(14-6-1)23-29-19-11-3-9-17-27-21-22-28-18-10-4-12-20-30-24-26-15-7-2-8-16-26/h1-2,5-8,13-16H,3-4,9-12,17-24H2
InChIKeyVCOUQSHUQDXZGU-UHFFFAOYSA-N
MW414.59 g/mol
LogP5.79
Rot. Bonds19

About 5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene

5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene (PubChem CID 135358353) has the molecular formula C26H38O4 and a molecular weight of 414.59 g/mol. Its IUPAC name is 5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene.

Molecular Properties

Compound Name5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
PubChem CID135358353
Molecular FormulaC26H38O4
Molecular Weight414.59 g/mol
Exact Mass414.28
IUPAC Name5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
SMILESc1ccc(COCCCCCOCCOCCCCCOCc2ccccc2)cc1
InChIInChI=1S/C26H38O4/c1-5-13-25(14-6-1)23-29-19-11-3-9-17-27-21-22-28-18-10-4-12-20-30-24-26-15-7-2-8-16-26/h1-2,5-8,13-16H,3-4,9-12,17-24H2
InChIKeyVCOUQSHUQDXZGU-UHFFFAOYSA-N
XLogP5.79
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol
CID 164592846
2-hexadecoxyethoxymethylbenzene
CID 19965709
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
tris(8-phenylmethoxyoctyl)borane
CID 102473578
5-(5-phenylmethoxypentoxy)pentan-1-ol
CID 155584786
5-bromopentoxymethylbenzene;1,5-dibromopentane
CID 161240377
15-bromopentadecoxymethylbenzene
CID 11338468
20-phenylmethoxyicos-10-enoxymethylbenzene
CID 54404919
1,3,5-tris[5-[3,5-bis[5-[3,5-bis(5-phenylmethoxypentoxy)phenoxy]pentoxy]phenoxy]pentoxy]benzene
CID 134929469
2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine
CID 139363224

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene?
The IUPAC name of 5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene (CID 135358353) is 5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene.
What is the SMILES notation for 5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene?
The canonical SMILES for 5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene is c1ccc(COCCCCCOCCOCCCCCOCc2ccccc2)cc1.
What is the InChIKey of 5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene?
The InChIKey is VCOUQSHUQDXZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O4/c1-5-13-25(14-6-1)23-29-19-11-3-9-17-27-21-22-28-18-10-4-12-20-30-24-26-15-7-2-8-16-26/h1-2,5-8,13-16H,3-4,9-12,17-24H2.
What are the key properties of 5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene?
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene has a molecular weight of 414.59 g/mol, XLogP of 5.79, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene is sourced from PubChem (CID 135358353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).