2-(5-methoxypentyl)-1,3,5-trimethylbenzene

C15H24O — CID 143283296

IUPAC2-(5-methoxypentyl)-1,3,5-trimethylbenzene
SMILESCOCCCCCc1c(C)cc(C)cc1C
InChIInChI=1S/C15H24O/c1-12-10-13(2)15(14(3)11-12)8-6-5-7-9-16-4/h10-11H,5-9H2,1-4H3
InChIKeyKWCSIHAGRIQFNO-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.97
Rot. Bonds6

About 2-(5-methoxypentyl)-1,3,5-trimethylbenzene

2-(5-methoxypentyl)-1,3,5-trimethylbenzene (PubChem CID 143283296) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-(5-methoxypentyl)-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-(5-methoxypentyl)-1,3,5-trimethylbenzene
PubChem CID143283296
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-(5-methoxypentyl)-1,3,5-trimethylbenzene
SMILESCOCCCCCc1c(C)cc(C)cc1C
InChIInChI=1S/C15H24O/c1-12-10-13(2)15(14(3)11-12)8-6-5-7-9-16-4/h10-11H,5-9H2,1-4H3
InChIKeyKWCSIHAGRIQFNO-UHFFFAOYSA-N
XLogP3.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.97
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

2-heptyl-1,3,5-trimethylbenzene
CID 91176517
2-hexadecyl-1,3,5-trimethylbenzene
CID 86119723
1-(3-methoxypropyl)-2-methyl-3-[2-(2,4,6-trimethylphenyl)ethyl]guanidine
CID 110974067
4-(2,4,6-trimethylphenyl)butan-1-amine
CID 19966399
2-butyl-1,3,5-trimethylbenzene
CID 527298
5-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 65092092
1-(7-methoxyheptyl)-3-methylbenzene
CID 70248389
2-(3-bromo-4-methoxybutyl)-1,3,5-trimethylbenzene
CID 62550417
1-(2-methoxyethyl)-3,5-dimethylbenzene
CID 145478416
N-(2-methoxyethyl)-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine
CID 65304715
2-(3-methoxypropyl)-4,6-dimethyl-1H-benzimidazole
CID 82946781
N-(2-methoxyethyl)-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine
CID 113405525

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxypentyl)-1,3,5-trimethylbenzene?
The IUPAC name of 2-(5-methoxypentyl)-1,3,5-trimethylbenzene (CID 143283296) is 2-(5-methoxypentyl)-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-(5-methoxypentyl)-1,3,5-trimethylbenzene?
The canonical SMILES for 2-(5-methoxypentyl)-1,3,5-trimethylbenzene is COCCCCCc1c(C)cc(C)cc1C.
What is the InChIKey of 2-(5-methoxypentyl)-1,3,5-trimethylbenzene?
The InChIKey is KWCSIHAGRIQFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-12-10-13(2)15(14(3)11-12)8-6-5-7-9-16-4/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-(5-methoxypentyl)-1,3,5-trimethylbenzene?
2-(5-methoxypentyl)-1,3,5-trimethylbenzene has a molecular weight of 220.36 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxypentyl)-1,3,5-trimethylbenzene is sourced from PubChem (CID 143283296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).