2,4-dichloro-3-methylpentane

C6H12Cl2 — CID 89169064

IUPAC2,4-dichloro-3-methylpentane
SMILESCC(Cl)C(C)C(C)Cl
InChIInChI=1S/C6H12Cl2/c1-4(5(2)7)6(3)8/h4-6H,1-3H3
InChIKeyJZERRWPWGREULQ-UHFFFAOYSA-N
MW155.07 g/mol
LogP2.88
Rot. Bonds2

About 2,4-dichloro-3-methylpentane

2,4-dichloro-3-methylpentane (PubChem CID 89169064) has the molecular formula C6H12Cl2 and a molecular weight of 155.07 g/mol. Its IUPAC name is 2,4-dichloro-3-methylpentane.

Molecular Properties

Compound Name2,4-dichloro-3-methylpentane
PubChem CID89169064
Molecular FormulaC6H12Cl2
Molecular Weight155.07 g/mol
Exact Mass154.03
IUPAC Name2,4-dichloro-3-methylpentane
SMILESCC(Cl)C(C)C(C)Cl
InChIInChI=1S/C6H12Cl2/c1-4(5(2)7)6(3)8/h4-6H,1-3H3
InChIKeyJZERRWPWGREULQ-UHFFFAOYSA-N
XLogP2.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.07
LogP ≤ 52.88
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

chloro(trimethyl)phosphanium
CID 15830224
magnesium;2-chloropropane;dichloride
CID 158508799
CID 118356908
CID 118356908
1-chloroethanediazonium
CID 19853659
lithium;magnesium;2-chloropropane;trichloride
CID 175456910
bromo-chloro-dimethylphosphanium
CID 23415191
2-chloropropane;bis(N-methylmethanamine)
CID 88525662
dichloro-methyl-sulfanylphosphanium
CID 88580697
(1R)-1-bromo-1-chloroethane
CID 96570687
chloroform;propan-2-ol
CID 173195035
alumane;1,1-dichloro-2-methylpropane
CID 173060987
lithium;magnesium;2-chloropropane;hydride;dichloride
CID 175456909

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-methylpentane?
The IUPAC name of 2,4-dichloro-3-methylpentane (CID 89169064) is 2,4-dichloro-3-methylpentane.
What is the SMILES notation for 2,4-dichloro-3-methylpentane?
The canonical SMILES for 2,4-dichloro-3-methylpentane is CC(Cl)C(C)C(C)Cl.
What is the InChIKey of 2,4-dichloro-3-methylpentane?
The InChIKey is JZERRWPWGREULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Cl2/c1-4(5(2)7)6(3)8/h4-6H,1-3H3.
What are the key properties of 2,4-dichloro-3-methylpentane?
2,4-dichloro-3-methylpentane has a molecular weight of 155.07 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-methylpentane is sourced from PubChem (CID 89169064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).