1,1,2,2-tetrachlorohexan-3-ol

C6H10Cl4O — CID 71360035

IUPAC1,1,2,2-tetrachlorohexan-3-ol
SMILESCCCC(O)C(Cl)(Cl)C(Cl)Cl
InChIInChI=1S/C6H10Cl4O/c1-2-3-4(11)6(9,10)5(7)8/h4-5,11H,2-3H2,1H3
InChIKeyPWDCLRNKEIRFHE-UHFFFAOYSA-N
MW239.96 g/mol
LogP3.12
Rot. Bonds4

About 1,1,2,2-tetrachlorohexan-3-ol

1,1,2,2-tetrachlorohexan-3-ol (PubChem CID 71360035) has the molecular formula C6H10Cl4O and a molecular weight of 239.96 g/mol. Its IUPAC name is 1,1,2,2-tetrachlorohexan-3-ol.

Molecular Properties

Compound Name1,1,2,2-tetrachlorohexan-3-ol
PubChem CID71360035
Molecular FormulaC6H10Cl4O
Molecular Weight239.96 g/mol
Exact Mass237.95
IUPAC Name1,1,2,2-tetrachlorohexan-3-ol
SMILESCCCC(O)C(Cl)(Cl)C(Cl)Cl
InChIInChI=1S/C6H10Cl4O/c1-2-3-4(11)6(9,10)5(7)8/h4-5,11H,2-3H2,1H3
InChIKeyPWDCLRNKEIRFHE-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.96
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1,1,2,2-tetrachlorohexan-3-ol?
The IUPAC name of 1,1,2,2-tetrachlorohexan-3-ol (CID 71360035) is 1,1,2,2-tetrachlorohexan-3-ol.
What is the SMILES notation for 1,1,2,2-tetrachlorohexan-3-ol?
The canonical SMILES for 1,1,2,2-tetrachlorohexan-3-ol is CCCC(O)C(Cl)(Cl)C(Cl)Cl.
What is the InChIKey of 1,1,2,2-tetrachlorohexan-3-ol?
The InChIKey is PWDCLRNKEIRFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl4O/c1-2-3-4(11)6(9,10)5(7)8/h4-5,11H,2-3H2,1H3.
What are the key properties of 1,1,2,2-tetrachlorohexan-3-ol?
1,1,2,2-tetrachlorohexan-3-ol has a molecular weight of 239.96 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrachlorohexan-3-ol is sourced from PubChem (CID 71360035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).