1,1,5,5-tetrachloro-3,3-dimethylpentane

C7H12Cl4 — CID 88645201

IUPAC1,1,5,5-tetrachloro-3,3-dimethylpentane
SMILESCC(C)(CC(Cl)Cl)CC(Cl)Cl
InChIInChI=1S/C7H12Cl4/c1-7(2,3-5(8)9)4-6(10)11/h5-6H,3-4H2,1-2H3
InChIKeyDYBSHKXVORCYHK-UHFFFAOYSA-N
MW237.98 g/mol
LogP4.40
Rot. Bonds4

About 1,1,5,5-tetrachloro-3,3-dimethylpentane

1,1,5,5-tetrachloro-3,3-dimethylpentane (PubChem CID 88645201) has the molecular formula C7H12Cl4 and a molecular weight of 237.98 g/mol. Its IUPAC name is 1,1,5,5-tetrachloro-3,3-dimethylpentane.

Molecular Properties

Compound Name1,1,5,5-tetrachloro-3,3-dimethylpentane
PubChem CID88645201
Molecular FormulaC7H12Cl4
Molecular Weight237.98 g/mol
Exact Mass235.97
IUPAC Name1,1,5,5-tetrachloro-3,3-dimethylpentane
SMILESCC(C)(CC(Cl)Cl)CC(Cl)Cl
InChIInChI=1S/C7H12Cl4/c1-7(2,3-5(8)9)4-6(10)11/h5-6H,3-4H2,1-2H3
InChIKeyDYBSHKXVORCYHK-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.98
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,5,5-tetrachloro-3,3-dimethylpentane?
The IUPAC name of 1,1,5,5-tetrachloro-3,3-dimethylpentane (CID 88645201) is 1,1,5,5-tetrachloro-3,3-dimethylpentane.
What is the SMILES notation for 1,1,5,5-tetrachloro-3,3-dimethylpentane?
The canonical SMILES for 1,1,5,5-tetrachloro-3,3-dimethylpentane is CC(C)(CC(Cl)Cl)CC(Cl)Cl.
What is the InChIKey of 1,1,5,5-tetrachloro-3,3-dimethylpentane?
The InChIKey is DYBSHKXVORCYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl4/c1-7(2,3-5(8)9)4-6(10)11/h5-6H,3-4H2,1-2H3.
What are the key properties of 1,1,5,5-tetrachloro-3,3-dimethylpentane?
1,1,5,5-tetrachloro-3,3-dimethylpentane has a molecular weight of 237.98 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,5,5-tetrachloro-3,3-dimethylpentane is sourced from PubChem (CID 88645201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).