1,1-dichlorohexa-1,4-diene

C6H8Cl2 — CID 76504782

IUPAC1,1-dichlorohexa-1,4-diene
SMILESCC=CCC=C(Cl)Cl
InChIInChI=1S/C6H8Cl2/c1-2-3-4-5-6(7)8/h2-3,5H,4H2,1H3
InChIKeyZRXSOHMVOAGKHL-UHFFFAOYSA-N
MW151.04 g/mol
LogP3.27
Rot. Bonds2

About 1,1-dichlorohexa-1,4-diene

1,1-dichlorohexa-1,4-diene (PubChem CID 76504782) has the molecular formula C6H8Cl2 and a molecular weight of 151.04 g/mol. Its IUPAC name is 1,1-dichlorohexa-1,4-diene.

Molecular Properties

Compound Name1,1-dichlorohexa-1,4-diene
PubChem CID76504782
Molecular FormulaC6H8Cl2
Molecular Weight151.04 g/mol
Exact Mass150.00
IUPAC Name1,1-dichlorohexa-1,4-diene
SMILESCC=CCC=C(Cl)Cl
InChIInChI=1S/C6H8Cl2/c1-2-3-4-5-6(7)8/h2-3,5H,4H2,1H3
InChIKeyZRXSOHMVOAGKHL-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.04
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Chloropent-2-ene
CID 642169
2-Pentene, 4-chloro-
CID 5365840
cis-1-Chloro-pent-2-ene
CID 12215088
trans-2,5-Dichloror-2,5-dimethyl-3-hexene
CID 5463035
2-Pentene, 5,5,5-trichloro-2-methyl-
CID 109087
4-Chloro-2-pentene
CID 518970
2-Chloro-2-pentene
CID 5463222
(E)-2-chloro-pent-2-ene
CID 5463223
cis-4-Chloro-2-pentene
CID 12406081
1-Chloro-2-pentene
CID 54365309
1,1-Dichloropentene-2
CID 21720828
(2E)-1,5,5-trichlorohex-2-ene
CID 642188

Frequently Asked Questions

What is the IUPAC name of 1,1-dichlorohexa-1,4-diene?
The IUPAC name of 1,1-dichlorohexa-1,4-diene (CID 76504782) is 1,1-dichlorohexa-1,4-diene.
What is the SMILES notation for 1,1-dichlorohexa-1,4-diene?
The canonical SMILES for 1,1-dichlorohexa-1,4-diene is CC=CCC=C(Cl)Cl.
What is the InChIKey of 1,1-dichlorohexa-1,4-diene?
The InChIKey is ZRXSOHMVOAGKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2/c1-2-3-4-5-6(7)8/h2-3,5H,4H2,1H3.
What are the key properties of 1,1-dichlorohexa-1,4-diene?
1,1-dichlorohexa-1,4-diene has a molecular weight of 151.04 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichlorohexa-1,4-diene is sourced from PubChem (CID 76504782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).