1-chloro-2-[2-(chloromethyl)-5,5-dimethylhexyl]benzene

C15H22Cl2 — CID 66050569

IUPAC1-chloro-2-[2-(chloromethyl)-5,5-dimethylhexyl]benzene
SMILESCC(C)(C)CCC(CCl)Cc1ccccc1Cl
InChIInChI=1S/C15H22Cl2/c1-15(2,3)9-8-12(11-16)10-13-6-4-5-7-14(13)17/h4-7,12H,8-11H2,1-3H3
InChIKeyKUEHLIMTLZUUGQ-UHFFFAOYSA-N
MW273.25 g/mol
LogP5.56
Rot. Bonds5

About 1-chloro-2-[2-(chloromethyl)-5,5-dimethylhexyl]benzene

1-chloro-2-[2-(chloromethyl)-5,5-dimethylhexyl]benzene (PubChem CID 66050569) has the molecular formula C15H22Cl2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 1-chloro-2-[2-(chloromethyl)-5,5-dimethylhexyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[2-(chloromethyl)-5,5-dimethylhexyl]benzene
PubChem CID66050569
Molecular FormulaC15H22Cl2
Molecular Weight273.25 g/mol
Exact Mass272.11
IUPAC Name1-chloro-2-[2-(chloromethyl)-5,5-dimethylhexyl]benzene
SMILESCC(C)(C)CCC(CCl)Cc1ccccc1Cl
InChIInChI=1S/C15H22Cl2/c1-15(2,3)9-8-12(11-16)10-13-6-4-5-7-14(13)17/h4-7,12H,8-11H2,1-3H3
InChIKeyKUEHLIMTLZUUGQ-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.25
LogP ≤ 55.56
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-(chloromethyl)-3-(2-methylphenyl)propyl]benzene
CID 66049897
[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane
CID 106324133
1-chloro-2-[2-(chloromethyl)-5-methylsulfonylpentyl]benzene
CID 66048378
1-chloro-3-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2-fluorobenzene
CID 102863748
N-[1-(2-chlorophenyl)propan-2-yl]-3,3-dimethylbutan-1-amine
CID 62964473
1-bromo-2-[2-(chloromethyl)-5-methoxy-5-methylhexyl]benzene
CID 103018331
5,5-dimethyl-2-[(2-methylphenyl)methyl]hexan-1-ol
CID 66059935
N-tert-butyl-2-[(2-chlorophenyl)methyl]hexan-1-amine
CID 63523387
2-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,4-difluorobenzene
CID 66048162
N-tert-butyl-2-[(2-chlorophenyl)methyl]-4-methylpentan-1-amine
CID 63497993
5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-dimethylpyrazole
CID 66050349
1-chloro-2-(2,3-dimethylbutyl)benzene
CID 123440272

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[2-(chloromethyl)-5,5-dimethylhexyl]benzene?
The IUPAC name of 1-chloro-2-[2-(chloromethyl)-5,5-dimethylhexyl]benzene (CID 66050569) is 1-chloro-2-[2-(chloromethyl)-5,5-dimethylhexyl]benzene.
What is the SMILES notation for 1-chloro-2-[2-(chloromethyl)-5,5-dimethylhexyl]benzene?
The canonical SMILES for 1-chloro-2-[2-(chloromethyl)-5,5-dimethylhexyl]benzene is CC(C)(C)CCC(CCl)Cc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-[2-(chloromethyl)-5,5-dimethylhexyl]benzene?
The InChIKey is KUEHLIMTLZUUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2/c1-15(2,3)9-8-12(11-16)10-13-6-4-5-7-14(13)17/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 1-chloro-2-[2-(chloromethyl)-5,5-dimethylhexyl]benzene?
1-chloro-2-[2-(chloromethyl)-5,5-dimethylhexyl]benzene has a molecular weight of 273.25 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[2-(chloromethyl)-5,5-dimethylhexyl]benzene is sourced from PubChem (CID 66050569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).