(2S)-1,2,4,4-tetrachloropentane

C5H8Cl4 — CID 642179

IUPAC(2S)-1,2,4,4-tetrachloropentane
SMILESCC(Cl)(Cl)C[C@H](Cl)CCl
InChIInChI=1S/C5H8Cl4/c1-5(8,9)2-4(7)3-6/h4H,2-3H2,1H3/t4-/m0/s1
InChIKeyIWKHAWMMEIDNBG-BYPYZUCNSA-N
MW209.93 g/mol
LogP3.42
Rot. Bonds3

About (2S)-1,2,4,4-tetrachloropentane

(2S)-1,2,4,4-tetrachloropentane (PubChem CID 642179) has the molecular formula C5H8Cl4 and a molecular weight of 209.93 g/mol. Its IUPAC name is (2S)-1,2,4,4-tetrachloropentane.

Molecular Properties

Compound Name(2S)-1,2,4,4-tetrachloropentane
PubChem CID642179
Molecular FormulaC5H8Cl4
Molecular Weight209.93 g/mol
Exact Mass207.94
IUPAC Name(2S)-1,2,4,4-tetrachloropentane
SMILESCC(Cl)(Cl)C[C@H](Cl)CCl
InChIInChI=1S/C5H8Cl4/c1-5(8,9)2-4(7)3-6/h4H,2-3H2,1H3/t4-/m0/s1
InChIKeyIWKHAWMMEIDNBG-BYPYZUCNSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.93
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2S)-1,2,4,4-tetrachloropentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,3,3-tetrachlorobutane
CID 642174
(4R)-2,2,4-trichloropentane
CID 642175
1,2-dichloro-5,5-dimethylhexane
CID 129235296
1,2,3-trichloropropane;hydrate
CID 172556253
2,4-dichloro-2-methylhexane
CID 15570353
1,1,1,3,9,10-hexachlorodecane
CID 53421412
1,1,1,3-tetrachloropentane
CID 13227610
2,3-dichloropropyl(trimethyl)azanium
CID 23318466
2,3-dichloropropyl 2,2-dimethylpropanoate
CID 102162680
1,1,5,5-tetrachloro-3,3-dimethylpentane
CID 88645201
1,2,5-trichlorooctane
CID 20749063
(2R,8S)-1,2,8,9-tetrachlorononane
CID 98103574

Frequently Asked Questions

What is the IUPAC name of (2S)-1,2,4,4-tetrachloropentane?
The IUPAC name of (2S)-1,2,4,4-tetrachloropentane (CID 642179) is (2S)-1,2,4,4-tetrachloropentane.
What is the SMILES notation for (2S)-1,2,4,4-tetrachloropentane?
The canonical SMILES for (2S)-1,2,4,4-tetrachloropentane is CC(Cl)(Cl)C[C@H](Cl)CCl.
What is the InChIKey of (2S)-1,2,4,4-tetrachloropentane?
The InChIKey is IWKHAWMMEIDNBG-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H8Cl4/c1-5(8,9)2-4(7)3-6/h4H,2-3H2,1H3/t4-/m0/s1.
What are the key properties of (2S)-1,2,4,4-tetrachloropentane?
(2S)-1,2,4,4-tetrachloropentane has a molecular weight of 209.93 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2,4,4-tetrachloropentane is sourced from PubChem (CID 642179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).