1,1,1,4-tetrachloro-4-methylpent-2-en-2-ol

C6H8Cl4O — CID 154128347

IUPAC1,1,1,4-tetrachloro-4-methylpent-2-en-2-ol
SMILESCC(C)(Cl)C=C(O)C(Cl)(Cl)Cl
InChIInChI=1S/C6H8Cl4O/c1-5(2,7)3-4(11)6(8,9)10/h3,11H,1-2H3
InChIKeyLLUIGDRMFSSTND-UHFFFAOYSA-N
MW237.94 g/mol
LogP3.82
Rot. Bonds1

About 1,1,1,4-tetrachloro-4-methylpent-2-en-2-ol

1,1,1,4-tetrachloro-4-methylpent-2-en-2-ol (PubChem CID 154128347) has the molecular formula C6H8Cl4O and a molecular weight of 237.94 g/mol. Its IUPAC name is 1,1,1,4-tetrachloro-4-methylpent-2-en-2-ol.

Molecular Properties

Compound Name1,1,1,4-tetrachloro-4-methylpent-2-en-2-ol
PubChem CID154128347
Molecular FormulaC6H8Cl4O
Molecular Weight237.94 g/mol
Exact Mass235.93
IUPAC Name1,1,1,4-tetrachloro-4-methylpent-2-en-2-ol
SMILESCC(C)(Cl)C=C(O)C(Cl)(Cl)Cl
InChIInChI=1S/C6H8Cl4O/c1-5(2,7)3-4(11)6(8,9)10/h3,11H,1-2H3
InChIKeyLLUIGDRMFSSTND-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.94
LogP ≤ 53.82
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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Related Compounds

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N-[(Z)-7,7,7-trichloro-6-hydroxy-2-methyl-4-oxohept-5-en-2-yl]acetamide
CID 23239290
copper;ethyl (Z)-4,4,4-trichloro-3-hydroxybut-2-enoate
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chloromethane;chromium
CID 88680076
(E)-2-chloro-2,5,5-trimethylhex-3-ene
CID 118583254
(E)-4,4,4-trichloro-2-(trichloromethyl)but-2-enoic acid
CID 166524488
2,2,2-trichloro-N-(2-methylbut-3-en-2-yl)acetamide
CID 10681001
1,1,2-trichloropropane-1,2-diol
CID 87301844
CID 155675070
CID 155675070
2,2-dichloropropane;zinc
CID 162195997

Frequently Asked Questions

What is the IUPAC name of 1,1,1,4-tetrachloro-4-methylpent-2-en-2-ol?
The IUPAC name of 1,1,1,4-tetrachloro-4-methylpent-2-en-2-ol (CID 154128347) is 1,1,1,4-tetrachloro-4-methylpent-2-en-2-ol.
What is the SMILES notation for 1,1,1,4-tetrachloro-4-methylpent-2-en-2-ol?
The canonical SMILES for 1,1,1,4-tetrachloro-4-methylpent-2-en-2-ol is CC(C)(Cl)C=C(O)C(Cl)(Cl)Cl.
What is the InChIKey of 1,1,1,4-tetrachloro-4-methylpent-2-en-2-ol?
The InChIKey is LLUIGDRMFSSTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl4O/c1-5(2,7)3-4(11)6(8,9)10/h3,11H,1-2H3.
What are the key properties of 1,1,1,4-tetrachloro-4-methylpent-2-en-2-ol?
1,1,1,4-tetrachloro-4-methylpent-2-en-2-ol has a molecular weight of 237.94 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4-tetrachloro-4-methylpent-2-en-2-ol is sourced from PubChem (CID 154128347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).