2,4-dichloro-2-methylhexane

C7H14Cl2 — CID 15570353

IUPAC2,4-dichloro-2-methylhexane
SMILESCCC(Cl)CC(C)(C)Cl
InChIInChI=1S/C7H14Cl2/c1-4-6(8)5-7(2,3)9/h6H,4-5H2,1-3H3
InChIKeyXBIDMLNFPSSINR-UHFFFAOYSA-N
MW169.09 g/mol
LogP3.41
Rot. Bonds3

About 2,4-dichloro-2-methylhexane

2,4-dichloro-2-methylhexane (PubChem CID 15570353) has the molecular formula C7H14Cl2 and a molecular weight of 169.09 g/mol. Its IUPAC name is 2,4-dichloro-2-methylhexane.

Molecular Properties

Compound Name2,4-dichloro-2-methylhexane
PubChem CID15570353
Molecular FormulaC7H14Cl2
Molecular Weight169.09 g/mol
Exact Mass168.05
IUPAC Name2,4-dichloro-2-methylhexane
SMILESCCC(Cl)CC(C)(C)Cl
InChIInChI=1S/C7H14Cl2/c1-4-6(8)5-7(2,3)9/h6H,4-5H2,1-3H3
InChIKeyXBIDMLNFPSSINR-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.09
LogP ≤ 53.41
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

1,1,1,3-tetrachloropentane
CID 13227610
3-chloro-2,2-dimethylpentane
CID 13351497
5-chloro-2,2-dimethylheptane
CID 64506638
butane;4-chloro-4-methylpentan-2-ol
CID 173456438
3,5,7,9-tetrachloroundecane
CID 20749072
3,5,7-trichlorononane
CID 86070462
(6-chloro-4-propyloctan-4-yl)oxysilane
CID 175576062
(2S)-1,2,4,4-tetrachloropentane
CID 642179
(2R)-1-bromo-2-chlorobutane
CID 57480694
1,1,3,3-tetrachlorobutane
CID 642174
(4R)-2,2,4-trichloropentane
CID 642175
2-chloro-2-methylbutane;methanol
CID 88619841

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-2-methylhexane?
The IUPAC name of 2,4-dichloro-2-methylhexane (CID 15570353) is 2,4-dichloro-2-methylhexane.
What is the SMILES notation for 2,4-dichloro-2-methylhexane?
The canonical SMILES for 2,4-dichloro-2-methylhexane is CCC(Cl)CC(C)(C)Cl.
What is the InChIKey of 2,4-dichloro-2-methylhexane?
The InChIKey is XBIDMLNFPSSINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14Cl2/c1-4-6(8)5-7(2,3)9/h6H,4-5H2,1-3H3.
What are the key properties of 2,4-dichloro-2-methylhexane?
2,4-dichloro-2-methylhexane has a molecular weight of 169.09 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-2-methylhexane is sourced from PubChem (CID 15570353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).