6-propan-2-yloxyhexylbenzene

C15H24O — CID 57124523

IUPAC6-propan-2-yloxyhexylbenzene
SMILESCC(C)OCCCCCCc1ccccc1
InChIInChI=1S/C15H24O/c1-14(2)16-13-9-4-3-6-10-15-11-7-5-8-12-15/h5,7-8,11-12,14H,3-4,6,9-10,13H2,1-2H3
InChIKeyPRTWYKQAIOMNCB-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.21
Rot. Bonds8

About 6-propan-2-yloxyhexylbenzene

6-propan-2-yloxyhexylbenzene (PubChem CID 57124523) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 6-propan-2-yloxyhexylbenzene.

Molecular Properties

Compound Name6-propan-2-yloxyhexylbenzene
PubChem CID57124523
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name6-propan-2-yloxyhexylbenzene
SMILESCC(C)OCCCCCCc1ccccc1
InChIInChI=1S/C15H24O/c1-14(2)16-13-9-4-3-6-10-15-11-7-5-8-12-15/h5,7-8,11-12,14H,3-4,6,9-10,13H2,1-2H3
InChIKeyPRTWYKQAIOMNCB-UHFFFAOYSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.21
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

12-(3-propan-2-yloxypropoxy)dodecylbenzene
CID 170688779
7-methoxyheptylbenzene
CID 54276867
N-(2-phenylethyl)-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17207061
8-(8-phenyloctoxy)octylbenzene
CID 56628536
N-[2-(3-phenylpropoxy)ethyl]-3-propan-2-yloxypropan-1-amine
CID 62585001
1-fluoro-3-[12-(3-propan-2-yloxypropoxy)dodecyl]benzene
CID 170689156
6-ethoxyhexylbenzene
CID 54300935
CID 160630043
CID 160630043
4-phenylbutylbenzene
CID 141301927
5-pentoxypentylbenzene
CID 19046566
10-butoxydecylbenzene
CID 151496754
14-propoxytetradecylbenzene
CID 126562833

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxyhexylbenzene?
The IUPAC name of 6-propan-2-yloxyhexylbenzene (CID 57124523) is 6-propan-2-yloxyhexylbenzene.
What is the SMILES notation for 6-propan-2-yloxyhexylbenzene?
The canonical SMILES for 6-propan-2-yloxyhexylbenzene is CC(C)OCCCCCCc1ccccc1.
What is the InChIKey of 6-propan-2-yloxyhexylbenzene?
The InChIKey is PRTWYKQAIOMNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-14(2)16-13-9-4-3-6-10-15-11-7-5-8-12-15/h5,7-8,11-12,14H,3-4,6,9-10,13H2,1-2H3.
What are the key properties of 6-propan-2-yloxyhexylbenzene?
6-propan-2-yloxyhexylbenzene has a molecular weight of 220.36 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxyhexylbenzene is sourced from PubChem (CID 57124523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).