2,3,4,6-tetrachlorohexane-1,5-diol

C6H10Cl4O2 — CID 87115034

IUPAC2,3,4,6-tetrachlorohexane-1,5-diol
SMILESOCC(Cl)C(Cl)C(Cl)C(O)CCl
InChIInChI=1S/C6H10Cl4O2/c7-1-4(12)6(10)5(9)3(8)2-11/h3-6,11-12H,1-2H2
InChIKeyUXUUMJPFOIYUBC-UHFFFAOYSA-N
MW255.96 g/mol
LogP1.40
Rot. Bonds5

About 2,3,4,6-tetrachlorohexane-1,5-diol

2,3,4,6-tetrachlorohexane-1,5-diol (PubChem CID 87115034) has the molecular formula C6H10Cl4O2 and a molecular weight of 255.96 g/mol. Its IUPAC name is 2,3,4,6-tetrachlorohexane-1,5-diol.

Molecular Properties

Compound Name2,3,4,6-tetrachlorohexane-1,5-diol
PubChem CID87115034
Molecular FormulaC6H10Cl4O2
Molecular Weight255.96 g/mol
Exact Mass253.94
IUPAC Name2,3,4,6-tetrachlorohexane-1,5-diol
SMILESOCC(Cl)C(Cl)C(Cl)C(O)CCl
InChIInChI=1S/C6H10Cl4O2/c7-1-4(12)6(10)5(9)3(8)2-11/h3-6,11-12H,1-2H2
InChIKeyUXUUMJPFOIYUBC-UHFFFAOYSA-N
XLogP1.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.96
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,6,6-tetrachlorohexane-1,4-diol
CID 57139385
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CID 139115848
2,3,4-trichlorobutane-1,1-diol
CID 118276207
3-chloropropane-1,2-diol;1-chloropropane-1,2,3-triol
CID 159024187
2,2-dichloroethanol;(dichloromethane)
CID 173081076
alumane;1,2-dichloroethanol
CID 174606739
1-chloropropane-1,2,3-triol;hydrate
CID 141440850
2,3-dichloropropan-1-ol;hydron
CID 174396616
2,3-dichloropropan-1-ol;hydrate
CID 88835584
(1R,2R)-3-chloro-1-phenylpropane-1,2-diol
CID 129404895
1,2,3,4-tetrachlorobutane
CID 155672172
2-bromo-3-chlorobutane-1,4-diol
CID 23322658

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetrachlorohexane-1,5-diol?
The IUPAC name of 2,3,4,6-tetrachlorohexane-1,5-diol (CID 87115034) is 2,3,4,6-tetrachlorohexane-1,5-diol.
What is the SMILES notation for 2,3,4,6-tetrachlorohexane-1,5-diol?
The canonical SMILES for 2,3,4,6-tetrachlorohexane-1,5-diol is OCC(Cl)C(Cl)C(Cl)C(O)CCl.
What is the InChIKey of 2,3,4,6-tetrachlorohexane-1,5-diol?
The InChIKey is UXUUMJPFOIYUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl4O2/c7-1-4(12)6(10)5(9)3(8)2-11/h3-6,11-12H,1-2H2.
What are the key properties of 2,3,4,6-tetrachlorohexane-1,5-diol?
2,3,4,6-tetrachlorohexane-1,5-diol has a molecular weight of 255.96 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetrachlorohexane-1,5-diol is sourced from PubChem (CID 87115034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).