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

C14H21Cl — CID 63431372

IUPAC2-(1-chloropentyl)-1,3,5-trimethylbenzene
SMILESCCCCC(Cl)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H21Cl/c1-5-6-7-13(15)14-11(3)8-10(2)9-12(14)4/h8-9,13H,5-7H2,1-4H3
InChIKeyJDLIAFCYWDEDRZ-UHFFFAOYSA-N
MW224.78 g/mol
LogP5.08
Rot. Bonds4

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

2-(1-chloropentyl)-1,3,5-trimethylbenzene (PubChem CID 63431372) has the molecular formula C14H21Cl and a molecular weight of 224.78 g/mol. Its IUPAC name is 2-(1-chloropentyl)-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-(1-chloropentyl)-1,3,5-trimethylbenzene
PubChem CID63431372
Molecular FormulaC14H21Cl
Molecular Weight224.78 g/mol
Exact Mass224.13
IUPAC Name2-(1-chloropentyl)-1,3,5-trimethylbenzene
SMILESCCCCC(Cl)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H21Cl/c1-5-6-7-13(15)14-11(3)8-10(2)9-12(14)4/h8-9,13H,5-7H2,1-4H3
InChIKeyJDLIAFCYWDEDRZ-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.78
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(1-chloropentyl)-2,4-dimethylbenzene
CID 63430265
3-(1-chloroheptyl)-1,2,4,5-tetramethylbenzene
CID 114753498
2-(1-chloro-2-propylpentyl)-1,3,5-trimethylbenzene
CID 82987069
2-(1-chloro-3-methylbutyl)-1,3,5-trimethylbenzene
CID 63431896
1-(2,4,6-trimethylphenyl)heptan-1-ol
CID 65148082
1-(2,4,6-trimethylphenyl)heptan-1-amine
CID 114752275
1,3,5-trimethyl-2-octan-2-ylbenzene
CID 101366430
3-(1-chloropentyl)-2,4-dimethylphenol
CID 154224205
2-(1-bromononyl)-1,3,5-trimethylbenzene
CID 65428123
N,2-diethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
CID 43491112
N-ethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
CID 43491113
1,4-dibromo-2-(1-chloropentyl)-5-methylbenzene
CID 81473878

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloropentyl)-1,3,5-trimethylbenzene?
The IUPAC name of 2-(1-chloropentyl)-1,3,5-trimethylbenzene (CID 63431372) is 2-(1-chloropentyl)-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-(1-chloropentyl)-1,3,5-trimethylbenzene?
The canonical SMILES for 2-(1-chloropentyl)-1,3,5-trimethylbenzene is CCCCC(Cl)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-(1-chloropentyl)-1,3,5-trimethylbenzene?
The InChIKey is JDLIAFCYWDEDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl/c1-5-6-7-13(15)14-11(3)8-10(2)9-12(14)4/h8-9,13H,5-7H2,1-4H3.
What are the key properties of 2-(1-chloropentyl)-1,3,5-trimethylbenzene?
2-(1-chloropentyl)-1,3,5-trimethylbenzene has a molecular weight of 224.78 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloropentyl)-1,3,5-trimethylbenzene is sourced from PubChem (CID 63431372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).