2-(3-chloropentan-2-yl)-1,3,5-trimethylbenzene

C14H21Cl — CID 79307998

IUPAC2-(3-chloropentan-2-yl)-1,3,5-trimethylbenzene
SMILESCCC(Cl)C(C)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H21Cl/c1-6-13(15)12(5)14-10(3)7-9(2)8-11(14)4/h7-8,12-13H,6H2,1-5H3
InChIKeyORRBKDVYFRUNGK-UHFFFAOYSA-N
MW224.77 g/mol
LogP4.73
Rot. Bonds3

About 2-(3-chloropentan-2-yl)-1,3,5-trimethylbenzene

2-(3-chloropentan-2-yl)-1,3,5-trimethylbenzene (PubChem CID 79307998) has the molecular formula C14H21Cl and a molecular weight of 224.77 g/mol. Its IUPAC name is 2-(3-chloropentan-2-yl)-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-(3-chloropentan-2-yl)-1,3,5-trimethylbenzene
PubChem CID79307998
Molecular FormulaC14H21Cl
Molecular Weight224.77 g/mol
Exact Mass224.13
IUPAC Name2-(3-chloropentan-2-yl)-1,3,5-trimethylbenzene
SMILESCCC(Cl)C(C)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H21Cl/c1-6-13(15)12(5)14-10(3)7-9(2)8-11(14)4/h7-8,12-13H,6H2,1-5H3
InChIKeyORRBKDVYFRUNGK-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.77
LogP ≤ 54.73
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

1,3,5-trimethyl-2-(2-methylpentan-3-yl)benzene
CID 57184197
2-butan-2-yl-1,3,5-trimethylbenzene;ethane;propane
CID 176709600
2-(1-chloro-3-methylbutyl)-1,3,5-trimethylbenzene
CID 63431896
chloro-(2,4,6-trimethylphenyl)methanamine
CID 116947745
2-(1-chloropentyl)-1,3,5-trimethylbenzene
CID 63431372
2-(1-chloro-2-propylpentyl)-1,3,5-trimethylbenzene
CID 82987069
1-chloro-3,5-dimethyl-2-(3-methylbutan-2-yl)benzene
CID 139403949
2-methyl-4-(2,4,6-trimethylphenyl)pentan-3-amine
CID 79298168
2-methylbutane;1,3,5-trimethylbenzene
CID 162176469
5-methyl-4-(2,4,6-trimethylphenyl)hexan-3-one
CID 83928229
2-(2,4,6-trimethylphenyl)propan-1-ol
CID 64989562
(1S,2R)-1-amino-3-methyl-1-(2,4,6-trimethylphenyl)pentan-2-ol;hydrochloride
CID 171268351

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropentan-2-yl)-1,3,5-trimethylbenzene?
The IUPAC name of 2-(3-chloropentan-2-yl)-1,3,5-trimethylbenzene (CID 79307998) is 2-(3-chloropentan-2-yl)-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-(3-chloropentan-2-yl)-1,3,5-trimethylbenzene?
The canonical SMILES for 2-(3-chloropentan-2-yl)-1,3,5-trimethylbenzene is CCC(Cl)C(C)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-(3-chloropentan-2-yl)-1,3,5-trimethylbenzene?
The InChIKey is ORRBKDVYFRUNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl/c1-6-13(15)12(5)14-10(3)7-9(2)8-11(14)4/h7-8,12-13H,6H2,1-5H3.
What are the key properties of 2-(3-chloropentan-2-yl)-1,3,5-trimethylbenzene?
2-(3-chloropentan-2-yl)-1,3,5-trimethylbenzene has a molecular weight of 224.77 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropentan-2-yl)-1,3,5-trimethylbenzene is sourced from PubChem (CID 79307998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).