5-pentoxypentylbenzene

C16H26O — CID 19046566

IUPAC5-pentoxypentylbenzene
SMILESCCCCCOCCCCCc1ccccc1
InChIInChI=1S/C16H26O/c1-2-3-9-14-17-15-10-5-8-13-16-11-6-4-7-12-16/h4,6-7,11-12H,2-3,5,8-10,13-15H2,1H3
InChIKeyHNXUIAHVRYAQKU-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.61
Rot. Bonds10

About 5-pentoxypentylbenzene

5-pentoxypentylbenzene (PubChem CID 19046566) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 5-pentoxypentylbenzene.

Molecular Properties

Compound Name5-pentoxypentylbenzene
PubChem CID19046566
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name5-pentoxypentylbenzene
SMILESCCCCCOCCCCCc1ccccc1
InChIInChI=1S/C16H26O/c1-2-3-9-14-17-15-10-5-8-13-16-11-6-4-7-12-16/h4,6-7,11-12H,2-3,5,8-10,13-15H2,1H3
InChIKeyHNXUIAHVRYAQKU-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.61
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

4-octadecoxybutylbenzene
CID 70977182
4-heptoxybutylbenzene;methane
CID 158099440
carbanide;4-heptoxybutylbenzene
CID 158344773
3-decoxypropylbenzene
CID 150065328
10-butoxydecylbenzene
CID 151496754
14-propoxytetradecylbenzene
CID 126562833
6-propoxyhexylbenzene
CID 54255597
4-heptoxybutylbenzene;octane;4-phenylbutan-1-ol
CID 157211945
2-pentoxyethylbenzene
CID 3022447
4-heptoxybutylbenzene;methane;octane;4-phenylbutan-1-ol
CID 157096254
8-(8-phenyloctoxy)octylbenzene
CID 56628536
octaoctacontylbenzene
CID 165359374

Frequently Asked Questions

What is the IUPAC name of 5-pentoxypentylbenzene?
The IUPAC name of 5-pentoxypentylbenzene (CID 19046566) is 5-pentoxypentylbenzene.
What is the SMILES notation for 5-pentoxypentylbenzene?
The canonical SMILES for 5-pentoxypentylbenzene is CCCCCOCCCCCc1ccccc1.
What is the InChIKey of 5-pentoxypentylbenzene?
The InChIKey is HNXUIAHVRYAQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-2-3-9-14-17-15-10-5-8-13-16-11-6-4-7-12-16/h4,6-7,11-12H,2-3,5,8-10,13-15H2,1H3.
What are the key properties of 5-pentoxypentylbenzene?
5-pentoxypentylbenzene has a molecular weight of 234.38 g/mol, XLogP of 4.61, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentoxypentylbenzene is sourced from PubChem (CID 19046566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).