(E)-1,1,1-trichlorohex-2-en-2-ol

C6H9Cl3O — CID 88736650

IUPAC(E)-1,1,1-trichlorohex-2-en-2-ol
SMILESCCC/C=C(/O)C(Cl)(Cl)Cl
InChIInChI=1S/C6H9Cl3O/c1-2-3-4-5(10)6(7,8)9/h4,10H,2-3H2,1H3/b5-4+
InChIKeyVZLJGNGZFGVYTF-SNAWJCMRSA-N
MW203.50 g/mol
LogP3.60
Rot. Bonds2

About (E)-1,1,1-trichlorohex-2-en-2-ol

(E)-1,1,1-trichlorohex-2-en-2-ol (PubChem CID 88736650) has the molecular formula C6H9Cl3O and a molecular weight of 203.50 g/mol. Its IUPAC name is (E)-1,1,1-trichlorohex-2-en-2-ol.

Molecular Properties

Compound Name(E)-1,1,1-trichlorohex-2-en-2-ol
PubChem CID88736650
Molecular FormulaC6H9Cl3O
Molecular Weight203.50 g/mol
Exact Mass201.97
IUPAC Name(E)-1,1,1-trichlorohex-2-en-2-ol
SMILESCCC/C=C(/O)C(Cl)(Cl)Cl
InChIInChI=1S/C6H9Cl3O/c1-2-3-4-5(10)6(7,8)9/h4,10H,2-3H2,1H3/b5-4+
InChIKeyVZLJGNGZFGVYTF-SNAWJCMRSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.50
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trichlorohex-2-en-2-ol?
The IUPAC name of (E)-1,1,1-trichlorohex-2-en-2-ol (CID 88736650) is (E)-1,1,1-trichlorohex-2-en-2-ol.
What is the SMILES notation for (E)-1,1,1-trichlorohex-2-en-2-ol?
The canonical SMILES for (E)-1,1,1-trichlorohex-2-en-2-ol is CCC/C=C(/O)C(Cl)(Cl)Cl.
What is the InChIKey of (E)-1,1,1-trichlorohex-2-en-2-ol?
The InChIKey is VZLJGNGZFGVYTF-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H9Cl3O/c1-2-3-4-5(10)6(7,8)9/h4,10H,2-3H2,1H3/b5-4+.
What are the key properties of (E)-1,1,1-trichlorohex-2-en-2-ol?
(E)-1,1,1-trichlorohex-2-en-2-ol has a molecular weight of 203.50 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trichlorohex-2-en-2-ol is sourced from PubChem (CID 88736650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).