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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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).