2-methoxyoctylbenzene

C15H24O — CID 102054372

IUPAC2-methoxyoctylbenzene
SMILESCCCCCCC(Cc1ccccc1)OC
InChIInChI=1S/C15H24O/c1-3-4-5-9-12-15(16-2)13-14-10-7-6-8-11-14/h6-8,10-11,15H,3-5,9,12-13H2,1-2H3
InChIKeyGTSQKJQZZNQREY-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.21
Rot. Bonds8

About 2-methoxyoctylbenzene

2-methoxyoctylbenzene (PubChem CID 102054372) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-methoxyoctylbenzene.

Molecular Properties

Compound Name2-methoxyoctylbenzene
PubChem CID102054372
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-methoxyoctylbenzene
SMILESCCCCCCC(Cc1ccccc1)OC
InChIInChI=1S/C15H24O/c1-3-4-5-9-12-15(16-2)13-14-10-7-6-8-11-14/h6-8,10-11,15H,3-5,9,12-13H2,1-2H3
InChIKeyGTSQKJQZZNQREY-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

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CID 67602168
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CID 22920205
2-methylheptylbenzene;2-methyloctylbenzene
CID 174049605
(2-methoxy-2-non-1-en-4-yloxyethyl)benzene
CID 100992819
benzyl 12-methoxyoctadecanoate
CID 174381311
2-bromotridecylbenzene
CID 65427778
hydrogen peroxide;2-methyldodecylbenzene
CID 159185106
(5S)-5-methoxyundecane
CID 118889956
1-methoxy-3-(2-methoxyhexyl)benzene
CID 122208727
2-(1,1-dimethoxyethyl)decylbenzene
CID 151688969
1-phenylundecan-2-ylbenzene
CID 22919994

Frequently Asked Questions

What is the IUPAC name of 2-methoxyoctylbenzene?
The IUPAC name of 2-methoxyoctylbenzene (CID 102054372) is 2-methoxyoctylbenzene.
What is the SMILES notation for 2-methoxyoctylbenzene?
The canonical SMILES for 2-methoxyoctylbenzene is CCCCCCC(Cc1ccccc1)OC.
What is the InChIKey of 2-methoxyoctylbenzene?
The InChIKey is GTSQKJQZZNQREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-3-4-5-9-12-15(16-2)13-14-10-7-6-8-11-14/h6-8,10-11,15H,3-5,9,12-13H2,1-2H3.
What are the key properties of 2-methoxyoctylbenzene?
2-methoxyoctylbenzene 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 2-methoxyoctylbenzene is sourced from PubChem (CID 102054372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).