4-[chloro-(2,2-dimethylcyclopentyl)methyl]-1,2-diethylbenzene

C18H27Cl — CID 107182565

IUPAC4-[chloro-(2,2-dimethylcyclopentyl)methyl]-1,2-diethylbenzene
SMILESCCc1ccc(C(Cl)C2CCCC2(C)C)cc1CC
InChIInChI=1S/C18H27Cl/c1-5-13-9-10-15(12-14(13)6-2)17(19)16-8-7-11-18(16,3)4/h9-10,12,16-17H,5-8,11H2,1-4H3
InChIKeyBGCSBHOKPBPHRA-UHFFFAOYSA-N
MW278.87 g/mol
LogP5.92
Rot. Bonds4

About 4-[chloro-(2,2-dimethylcyclopentyl)methyl]-1,2-diethylbenzene

4-[chloro-(2,2-dimethylcyclopentyl)methyl]-1,2-diethylbenzene (PubChem CID 107182565) has the molecular formula C18H27Cl and a molecular weight of 278.87 g/mol. Its IUPAC name is 4-[chloro-(2,2-dimethylcyclopentyl)methyl]-1,2-diethylbenzene.

Molecular Properties

Compound Name4-[chloro-(2,2-dimethylcyclopentyl)methyl]-1,2-diethylbenzene
PubChem CID107182565
Molecular FormulaC18H27Cl
Molecular Weight278.87 g/mol
Exact Mass278.18
IUPAC Name4-[chloro-(2,2-dimethylcyclopentyl)methyl]-1,2-diethylbenzene
SMILESCCc1ccc(C(Cl)C2CCCC2(C)C)cc1CC
InChIInChI=1S/C18H27Cl/c1-5-13-9-10-15(12-14(13)6-2)17(19)16-8-7-11-18(16,3)4/h9-10,12,16-17H,5-8,11H2,1-4H3
InChIKeyBGCSBHOKPBPHRA-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.87
LogP ≤ 55.92
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-[chloro-(2,2-dimethylcyclohexyl)methyl]-4-(2-methylpropyl)benzene
CID 107181911
6-[chloro-(2,2-dimethylcyclohexyl)methyl]-3H-1,3-benzoxazol-2-one
CID 107182046
5-[chloro-(2,2-dimethylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran
CID 107181961
5-[chloro-(2,2-dimethylcyclohexyl)methyl]-2,2-dimethyl-3H-1-benzofuran
CID 107182362
4-(1-chloro-2-cyclopropylpropyl)-1,2-diethylbenzene
CID 83148211
4-[chloro-(2-phenylcyclopropyl)methyl]-1,2-diethylbenzene
CID 115482907
(3,4-diethylphenyl)-(1-methylcyclohexyl)methanol
CID 106828378
1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-methylnaphthalene
CID 107182433
1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-fluoronaphthalene
CID 107182393
(4-butan-2-ylphenyl)-(2,2-dimethylcyclopentyl)methanamine
CID 107177011
N-[2-(2-chloro-4-methylphenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine
CID 107191840
N-[(4-chloro-3-methoxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107189816

Frequently Asked Questions

What is the IUPAC name of 4-[chloro-(2,2-dimethylcyclopentyl)methyl]-1,2-diethylbenzene?
The IUPAC name of 4-[chloro-(2,2-dimethylcyclopentyl)methyl]-1,2-diethylbenzene (CID 107182565) is 4-[chloro-(2,2-dimethylcyclopentyl)methyl]-1,2-diethylbenzene.
What is the SMILES notation for 4-[chloro-(2,2-dimethylcyclopentyl)methyl]-1,2-diethylbenzene?
The canonical SMILES for 4-[chloro-(2,2-dimethylcyclopentyl)methyl]-1,2-diethylbenzene is CCc1ccc(C(Cl)C2CCCC2(C)C)cc1CC.
What is the InChIKey of 4-[chloro-(2,2-dimethylcyclopentyl)methyl]-1,2-diethylbenzene?
The InChIKey is BGCSBHOKPBPHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27Cl/c1-5-13-9-10-15(12-14(13)6-2)17(19)16-8-7-11-18(16,3)4/h9-10,12,16-17H,5-8,11H2,1-4H3.
What are the key properties of 4-[chloro-(2,2-dimethylcyclopentyl)methyl]-1,2-diethylbenzene?
4-[chloro-(2,2-dimethylcyclopentyl)methyl]-1,2-diethylbenzene has a molecular weight of 278.87 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro-(2,2-dimethylcyclopentyl)methyl]-1,2-diethylbenzene is sourced from PubChem (CID 107182565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).