1-ethyl-3-methyl-5-pentylbenzene

C14H22 — CID 142401293

IUPAC1-ethyl-3-methyl-5-pentylbenzene
SMILESCCCCCc1cc(C)cc(CC)c1
InChIInChI=1S/C14H22/c1-4-6-7-8-14-10-12(3)9-13(5-2)11-14/h9-11H,4-8H2,1-3H3
InChIKeyCFPRSYSOAOBTTJ-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.29
Rot. Bonds5

About 1-ethyl-3-methyl-5-pentylbenzene

1-ethyl-3-methyl-5-pentylbenzene (PubChem CID 142401293) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-pentylbenzene.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-pentylbenzene
PubChem CID142401293
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name1-ethyl-3-methyl-5-pentylbenzene
SMILESCCCCCc1cc(C)cc(CC)c1
InChIInChI=1S/C14H22/c1-4-6-7-8-14-10-12(3)9-13(5-2)11-14/h9-11H,4-8H2,1-3H3
InChIKeyCFPRSYSOAOBTTJ-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3,5-di(pentadecyl)benzene
CID 58289216
1-ethyl-3,5-di(tetradecyl)benzene
CID 91801932
1-ethyl-3-heptyl-5-propylbenzene
CID 141210303
3-ethyl-5-pentylphenol
CID 130224031
1-butyl-3,5-di(tetradecyl)benzene
CID 91192270
1-[5-(3,5-dimethylphenyl)pentyl]-3,5-dimethylbenzene
CID 22920116
1,3-didecyl-5-(3,5-didecylphenyl)benzene
CID 150677432
1-[(3,5-diethylphenyl)methyl]-3-ethyl-5-[(3-ethyl-5-methylphenyl)methyl]benzene
CID 159034335
2-heptyl-1,3,5-trimethylbenzene
CID 91176517
2-hexadecyl-1,3,5-trimethylbenzene
CID 86119723
1,3,5-tris[(E)-2-(3,5-dihexylphenyl)ethenyl]benzene
CID 101355748
5-ethyl-1,2,3-tri(tetracosyl)benzene
CID 90881176

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-pentylbenzene?
The IUPAC name of 1-ethyl-3-methyl-5-pentylbenzene (CID 142401293) is 1-ethyl-3-methyl-5-pentylbenzene.
What is the SMILES notation for 1-ethyl-3-methyl-5-pentylbenzene?
The canonical SMILES for 1-ethyl-3-methyl-5-pentylbenzene is CCCCCc1cc(C)cc(CC)c1.
What is the InChIKey of 1-ethyl-3-methyl-5-pentylbenzene?
The InChIKey is CFPRSYSOAOBTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-4-6-7-8-14-10-12(3)9-13(5-2)11-14/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-ethyl-3-methyl-5-pentylbenzene?
1-ethyl-3-methyl-5-pentylbenzene has a molecular weight of 190.33 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-pentylbenzene is sourced from PubChem (CID 142401293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).