6-propoxyhexylbenzene

C15H24O — CID 54255597

IUPAC6-propoxyhexylbenzene
SMILESCCCOCCCCCCc1ccccc1
InChIInChI=1S/C15H24O/c1-2-13-16-14-9-4-3-6-10-15-11-7-5-8-12-15/h5,7-8,11-12H,2-4,6,9-10,13-14H2,1H3
InChIKeyANEUIPHHCYODIQ-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.22
Rot. Bonds9

About 6-propoxyhexylbenzene

6-propoxyhexylbenzene (PubChem CID 54255597) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 6-propoxyhexylbenzene.

Molecular Properties

Compound Name6-propoxyhexylbenzene
PubChem CID54255597
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name6-propoxyhexylbenzene
SMILESCCCOCCCCCCc1ccccc1
InChIInChI=1S/C15H24O/c1-2-13-16-14-9-4-3-6-10-15-11-7-5-8-12-15/h5,7-8,11-12H,2-4,6,9-10,13-14H2,1H3
InChIKeyANEUIPHHCYODIQ-UHFFFAOYSA-N
XLogP4.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.22
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

14-propoxytetradecylbenzene
CID 126562833
10-butoxydecylbenzene
CID 151496754
4-octadecoxybutylbenzene
CID 70977182
5-pentoxypentylbenzene
CID 19046566
carbanide;4-heptoxybutylbenzene
CID 158344773
4-heptoxybutylbenzene;methane
CID 158099440
8-(8-phenyloctoxy)octylbenzene
CID 56628536
3-decoxypropylbenzene
CID 150065328
6-ethoxyhexylbenzene
CID 54300935
4-heptoxybutylbenzene;octane;4-phenylbutan-1-ol
CID 157211945
4-heptoxybutylbenzene;methane;octane;4-phenylbutan-1-ol
CID 157096254
2-pentoxyethylbenzene
CID 3022447

Frequently Asked Questions

What is the IUPAC name of 6-propoxyhexylbenzene?
The IUPAC name of 6-propoxyhexylbenzene (CID 54255597) is 6-propoxyhexylbenzene.
What is the SMILES notation for 6-propoxyhexylbenzene?
The canonical SMILES for 6-propoxyhexylbenzene is CCCOCCCCCCc1ccccc1.
What is the InChIKey of 6-propoxyhexylbenzene?
The InChIKey is ANEUIPHHCYODIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-2-13-16-14-9-4-3-6-10-15-11-7-5-8-12-15/h5,7-8,11-12H,2-4,6,9-10,13-14H2,1H3.
What are the key properties of 6-propoxyhexylbenzene?
6-propoxyhexylbenzene has a molecular weight of 220.36 g/mol, XLogP of 4.22, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propoxyhexylbenzene is sourced from PubChem (CID 54255597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).