4-(3-chloro-4,4-dimethylpentyl)-1,2-dimethylbenzene

C15H23Cl — CID 63460377

IUPAC4-(3-chloro-4,4-dimethylpentyl)-1,2-dimethylbenzene
SMILESCc1ccc(CCC(Cl)C(C)(C)C)cc1C
InChIInChI=1S/C15H23Cl/c1-11-6-7-13(10-12(11)2)8-9-14(16)15(3,4)5/h6-7,10,14H,8-9H2,1-5H3
InChIKeyGBTZLWGPHBFNBB-UHFFFAOYSA-N
MW238.80 g/mol
LogP4.89
Rot. Bonds3

About 4-(3-chloro-4,4-dimethylpentyl)-1,2-dimethylbenzene

4-(3-chloro-4,4-dimethylpentyl)-1,2-dimethylbenzene (PubChem CID 63460377) has the molecular formula C15H23Cl and a molecular weight of 238.80 g/mol. Its IUPAC name is 4-(3-chloro-4,4-dimethylpentyl)-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-(3-chloro-4,4-dimethylpentyl)-1,2-dimethylbenzene
PubChem CID63460377
Molecular FormulaC15H23Cl
Molecular Weight238.80 g/mol
Exact Mass238.15
IUPAC Name4-(3-chloro-4,4-dimethylpentyl)-1,2-dimethylbenzene
SMILESCc1ccc(CCC(Cl)C(C)(C)C)cc1C
InChIInChI=1S/C15H23Cl/c1-11-6-7-13(10-12(11)2)8-9-14(16)15(3,4)5/h6-7,10,14H,8-9H2,1-5H3
InChIKeyGBTZLWGPHBFNBB-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.80
LogP ≤ 54.89
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

4-(3-chloro-4-methylpentyl)-1,2-dimethylbenzene
CID 63461673
2-(3-chloro-4,4-dimethylpentyl)-1,4-dimethylbenzene
CID 63460011
(2S)-4-(3,4-dimethylphenyl)butan-2-amine
CID 42077524
4-(3-chloro-4,4-dimethylpentyl)-2-methylthiophene
CID 65102071
1-(3-chloro-4,4-dimethylpentyl)-2,4-dimethylbenzene
CID 64508226
N-tert-butyl-5-(3,4-dimethylphenyl)-3-methylpentan-1-amine
CID 65304012
4-(3,4-dimethylphenyl)butane-1,2-diol
CID 83927957
4-(3-bromopentyl)-1,2-dimethylbenzene
CID 63472190
4-(2-chloro-3-methylbutyl)-1,2-dimethylbenzene
CID 63520209
2-chloro-N-[2-(3,4-dimethylphenyl)ethyl]propanamide
CID 82110156
4-[4-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;ethene
CID 144549568
4-(10,10-dimethylundecyl)-1,2-dimethylbenzene
CID 150895968

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4,4-dimethylpentyl)-1,2-dimethylbenzene?
The IUPAC name of 4-(3-chloro-4,4-dimethylpentyl)-1,2-dimethylbenzene (CID 63460377) is 4-(3-chloro-4,4-dimethylpentyl)-1,2-dimethylbenzene.
What is the SMILES notation for 4-(3-chloro-4,4-dimethylpentyl)-1,2-dimethylbenzene?
The canonical SMILES for 4-(3-chloro-4,4-dimethylpentyl)-1,2-dimethylbenzene is Cc1ccc(CCC(Cl)C(C)(C)C)cc1C.
What is the InChIKey of 4-(3-chloro-4,4-dimethylpentyl)-1,2-dimethylbenzene?
The InChIKey is GBTZLWGPHBFNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl/c1-11-6-7-13(10-12(11)2)8-9-14(16)15(3,4)5/h6-7,10,14H,8-9H2,1-5H3.
What are the key properties of 4-(3-chloro-4,4-dimethylpentyl)-1,2-dimethylbenzene?
4-(3-chloro-4,4-dimethylpentyl)-1,2-dimethylbenzene has a molecular weight of 238.80 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4,4-dimethylpentyl)-1,2-dimethylbenzene is sourced from PubChem (CID 63460377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).