2,5-dichlorohexane-2,5-diol

C6H12Cl2O2 — CID 151144167

IUPAC2,5-dichlorohexane-2,5-diol
SMILESCC(O)(Cl)CCC(C)(O)Cl
InChIInChI=1S/C6H12Cl2O2/c1-5(7,9)3-4-6(2,8)10/h9-10H,3-4H2,1-2H3
InChIKeyMWVKDCRPUXFMQB-UHFFFAOYSA-N
MW187.07 g/mol
LogP1.66
Rot. Bonds3

About 2,5-dichlorohexane-2,5-diol

2,5-dichlorohexane-2,5-diol (PubChem CID 151144167) has the molecular formula C6H12Cl2O2 and a molecular weight of 187.07 g/mol. Its IUPAC name is 2,5-dichlorohexane-2,5-diol.

Molecular Properties

Compound Name2,5-dichlorohexane-2,5-diol
PubChem CID151144167
Molecular FormulaC6H12Cl2O2
Molecular Weight187.07 g/mol
Exact Mass186.02
IUPAC Name2,5-dichlorohexane-2,5-diol
SMILESCC(O)(Cl)CCC(C)(O)Cl
InChIInChI=1S/C6H12Cl2O2/c1-5(7,9)3-4-6(2,8)10/h9-10H,3-4H2,1-2H3
InChIKeyMWVKDCRPUXFMQB-UHFFFAOYSA-N
XLogP1.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.07
LogP ≤ 51.66
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

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1,1,2-trichloropropane-1,2-diol
CID 87301844
dichloromethane;2-methylpropan-2-ol
CID 18914702
ethanol;1,1,1-trichloro-2-methylpropan-2-ol
CID 88520604
bis(1,1,1-trichloro-2-methylpropan-2-ol);hydrate
CID 5284505
1,3-dichloro-2-methylbutane-2,3-diol
CID 130737307
lithium 2-chloro-2-hydroxypropane-1-sulfonate
CID 172700997
1-chloro-2-methylpropan-2-ol;vanadium
CID 158704639
2-chloro-2-methylbutane;methanol
CID 88619841
1-chloro-1-iodopropan-1-ol
CID 23322646
3,3-dichlorobutanamide
CID 57160976

Frequently Asked Questions

What is the IUPAC name of 2,5-dichlorohexane-2,5-diol?
The IUPAC name of 2,5-dichlorohexane-2,5-diol (CID 151144167) is 2,5-dichlorohexane-2,5-diol.
What is the SMILES notation for 2,5-dichlorohexane-2,5-diol?
The canonical SMILES for 2,5-dichlorohexane-2,5-diol is CC(O)(Cl)CCC(C)(O)Cl.
What is the InChIKey of 2,5-dichlorohexane-2,5-diol?
The InChIKey is MWVKDCRPUXFMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Cl2O2/c1-5(7,9)3-4-6(2,8)10/h9-10H,3-4H2,1-2H3.
What are the key properties of 2,5-dichlorohexane-2,5-diol?
2,5-dichlorohexane-2,5-diol has a molecular weight of 187.07 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichlorohexane-2,5-diol is sourced from PubChem (CID 151144167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).