1-[chloro(cyclopentyl)methyl]-2,3,4,5,6-pentamethylbenzene

C17H25Cl — CID 63429660

IUPAC1-[chloro(cyclopentyl)methyl]-2,3,4,5,6-pentamethylbenzene
SMILESCc1c(C)c(C)c(C(Cl)C2CCCC2)c(C)c1C
InChIInChI=1S/C17H25Cl/c1-10-11(2)13(4)16(14(5)12(10)3)17(18)15-8-6-7-9-15/h15,17H,6-9H2,1-5H3
InChIKeyBLJXLMWZXRKGCA-UHFFFAOYSA-N
MW264.84 g/mol
LogP5.70
Rot. Bonds2

About 1-[chloro(cyclopentyl)methyl]-2,3,4,5,6-pentamethylbenzene

1-[chloro(cyclopentyl)methyl]-2,3,4,5,6-pentamethylbenzene (PubChem CID 63429660) has the molecular formula C17H25Cl and a molecular weight of 264.84 g/mol. Its IUPAC name is 1-[chloro(cyclopentyl)methyl]-2,3,4,5,6-pentamethylbenzene.

Molecular Properties

Compound Name1-[chloro(cyclopentyl)methyl]-2,3,4,5,6-pentamethylbenzene
PubChem CID63429660
Molecular FormulaC17H25Cl
Molecular Weight264.84 g/mol
Exact Mass264.16
IUPAC Name1-[chloro(cyclopentyl)methyl]-2,3,4,5,6-pentamethylbenzene
SMILESCc1c(C)c(C)c(C(Cl)C2CCCC2)c(C)c1C
InChIInChI=1S/C17H25Cl/c1-10-11(2)13(4)16(14(5)12(10)3)17(18)15-8-6-7-9-15/h15,17H,6-9H2,1-5H3
InChIKeyBLJXLMWZXRKGCA-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.84
LogP ≤ 55.70
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

2-[chloro(cyclobutyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879670
(1R,2S)-2-amino-1-cyclopentyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol
CID 171270673
N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine
CID 43489814
5-[chloro(cyclopentyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 65297249
5-[chloro(cyclohexyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 65296894
N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]propan-1-amine
CID 43495413
(1R,2S)-2-amino-1-cyclobutyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol;hydrochloride
CID 171270672
2-cycloheptyl-1-(2,3,4,5,6-pentamethylphenyl)ethanamine
CID 114457480
1-chloroethylcyclododecane
CID 66468842
cyclohexane;dichloromethylcyclohexane
CID 118430501
(3-chloro-4-methylpentan-2-yl)cyclopentane
CID 79299407
[chloro-(4-methoxy-3-methylphenyl)methyl]cyclooctane
CID 65020691

Frequently Asked Questions

What is the IUPAC name of 1-[chloro(cyclopentyl)methyl]-2,3,4,5,6-pentamethylbenzene?
The IUPAC name of 1-[chloro(cyclopentyl)methyl]-2,3,4,5,6-pentamethylbenzene (CID 63429660) is 1-[chloro(cyclopentyl)methyl]-2,3,4,5,6-pentamethylbenzene.
What is the SMILES notation for 1-[chloro(cyclopentyl)methyl]-2,3,4,5,6-pentamethylbenzene?
The canonical SMILES for 1-[chloro(cyclopentyl)methyl]-2,3,4,5,6-pentamethylbenzene is Cc1c(C)c(C)c(C(Cl)C2CCCC2)c(C)c1C.
What is the InChIKey of 1-[chloro(cyclopentyl)methyl]-2,3,4,5,6-pentamethylbenzene?
The InChIKey is BLJXLMWZXRKGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl/c1-10-11(2)13(4)16(14(5)12(10)3)17(18)15-8-6-7-9-15/h15,17H,6-9H2,1-5H3.
What are the key properties of 1-[chloro(cyclopentyl)methyl]-2,3,4,5,6-pentamethylbenzene?
1-[chloro(cyclopentyl)methyl]-2,3,4,5,6-pentamethylbenzene has a molecular weight of 264.84 g/mol, XLogP of 5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(cyclopentyl)methyl]-2,3,4,5,6-pentamethylbenzene is sourced from PubChem (CID 63429660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).