(E)-1,5,5-trichlorohex-2-ene

C6H9Cl3 — CID 642188

IUPAC(E)-1,5,5-trichlorohex-2-ene
SMILESCC(Cl)(Cl)C/C=C/CCl
InChIInChI=1S/C6H9Cl3/c1-6(8,9)4-2-3-5-7/h2-3H,4-5H2,1H3/b3-2+
InChIKeyBDMQCCQSZVGWEJ-NSCUHMNNSA-N
MW187.50 g/mol
LogP3.37
Rot. Bonds3

About (E)-1,5,5-trichlorohex-2-ene

(E)-1,5,5-trichlorohex-2-ene (PubChem CID 642188) has the molecular formula C6H9Cl3 and a molecular weight of 187.50 g/mol. Its IUPAC name is (E)-1,5,5-trichlorohex-2-ene.

Molecular Properties

Compound Name(E)-1,5,5-trichlorohex-2-ene
PubChem CID642188
Molecular FormulaC6H9Cl3
Molecular Weight187.50 g/mol
Exact Mass185.98
IUPAC Name(E)-1,5,5-trichlorohex-2-ene
SMILESCC(Cl)(Cl)C/C=C/CCl
InChIInChI=1S/C6H9Cl3/c1-6(8,9)4-2-3-5-7/h2-3H,4-5H2,1H3/b3-2+
InChIKeyBDMQCCQSZVGWEJ-NSCUHMNNSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.50
LogP ≤ 53.37
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

1-Chloropent-2-ene
CID 642169
3-Hexene, 1-chloro-, (3Z)-
CID 6436531
2-Pentene, 4-chloro-
CID 5365840
2-Pentene, 5-chloro-, (2E)-
CID 6436376
2-Pentene, 5-chloro-, (Z)-
CID 6437049
cis-1-Chloro-pent-2-ene
CID 12215088
1-Chloro-2-heptene
CID 5475544
2-Hexene, 1-chloro-
CID 5362650
3-Hexene, 1-chloro-, (3E)-
CID 6437766
cis-6-Chloro-2-hexene
CID 12466001
4-Chloro-2-pentene
CID 518970
cis-4-Chloro-2-pentene
CID 12406081

Frequently Asked Questions

What is the IUPAC name of (E)-1,5,5-trichlorohex-2-ene?
The IUPAC name of (E)-1,5,5-trichlorohex-2-ene (CID 642188) is (E)-1,5,5-trichlorohex-2-ene.
What is the SMILES notation for (E)-1,5,5-trichlorohex-2-ene?
The canonical SMILES for (E)-1,5,5-trichlorohex-2-ene is CC(Cl)(Cl)C/C=C/CCl.
What is the InChIKey of (E)-1,5,5-trichlorohex-2-ene?
The InChIKey is BDMQCCQSZVGWEJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H9Cl3/c1-6(8,9)4-2-3-5-7/h2-3H,4-5H2,1H3/b3-2+.
What are the key properties of (E)-1,5,5-trichlorohex-2-ene?
(E)-1,5,5-trichlorohex-2-ene has a molecular weight of 187.50 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,5,5-trichlorohex-2-ene is sourced from PubChem (CID 642188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).