5,5,5-trichloro-2,4-dimethylpent-2-ene

C7H11Cl3 — CID 173429059

IUPAC5,5,5-trichloro-2,4-dimethylpent-2-ene
SMILESCC(C)=CC(C)C(Cl)(Cl)Cl
InChIInChI=1S/C7H11Cl3/c1-5(2)4-6(3)7(8,9)10/h4,6H,1-3H3
InChIKeyUBQHAOLXOMBFTG-UHFFFAOYSA-N
MW201.52 g/mol
LogP3.96
Rot. Bonds1

About 5,5,5-trichloro-2,4-dimethylpent-2-ene

5,5,5-trichloro-2,4-dimethylpent-2-ene (PubChem CID 173429059) has the molecular formula C7H11Cl3 and a molecular weight of 201.52 g/mol. Its IUPAC name is 5,5,5-trichloro-2,4-dimethylpent-2-ene.

Molecular Properties

Compound Name5,5,5-trichloro-2,4-dimethylpent-2-ene
PubChem CID173429059
Molecular FormulaC7H11Cl3
Molecular Weight201.52 g/mol
Exact Mass199.99
IUPAC Name5,5,5-trichloro-2,4-dimethylpent-2-ene
SMILESCC(C)=CC(C)C(Cl)(Cl)Cl
InChIInChI=1S/C7H11Cl3/c1-5(2)4-6(3)7(8,9)10/h4,6H,1-3H3
InChIKeyUBQHAOLXOMBFTG-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.52
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4R)-2,4,5,5-tetramethylhex-2-ene
CID 172513214
1,1,1-trichloro-4-methylpent-3-en-2-ol
CID 3014424
4-chloro-2-methylpent-2-ene
CID 12535659
4-methylpent-3-en-2-yl thiohypochlorite
CID 167216241
2,4-dimethylpent-2-ene;lutetium;2,4,7,9-tetramethyldeca-2,8-diene
CID 57404171
(4R)-2,4-dimethylhex-2-ene
CID 142611901
2,3,5-trimethylhexa-1,3-diene
CID 572950
CID 174104009
CID 174104009
1,1,1,2,3-pentachlorobutane
CID 13215584
1,1,1,2-tetrachloropropane
CID 87557158
2,4,6-trimethylhept-2-ene
CID 558039
5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecachloro-2,4-dimethyldodec-2-enoic acid
CID 173325255

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trichloro-2,4-dimethylpent-2-ene?
The IUPAC name of 5,5,5-trichloro-2,4-dimethylpent-2-ene (CID 173429059) is 5,5,5-trichloro-2,4-dimethylpent-2-ene.
What is the SMILES notation for 5,5,5-trichloro-2,4-dimethylpent-2-ene?
The canonical SMILES for 5,5,5-trichloro-2,4-dimethylpent-2-ene is CC(C)=CC(C)C(Cl)(Cl)Cl.
What is the InChIKey of 5,5,5-trichloro-2,4-dimethylpent-2-ene?
The InChIKey is UBQHAOLXOMBFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl3/c1-5(2)4-6(3)7(8,9)10/h4,6H,1-3H3.
What are the key properties of 5,5,5-trichloro-2,4-dimethylpent-2-ene?
5,5,5-trichloro-2,4-dimethylpent-2-ene has a molecular weight of 201.52 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trichloro-2,4-dimethylpent-2-ene is sourced from PubChem (CID 173429059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).