2,6-dichlorohex-1-ene

C6H10Cl2 — CID 13050386

IUPAC2,6-dichlorohex-1-ene
SMILESC=C(Cl)CCCCCl
InChIInChI=1S/C6H10Cl2/c1-6(8)4-2-3-5-7/h1-5H2
InChIKeyGATYIWRMDGWOCG-UHFFFAOYSA-N
MW153.05 g/mol
LogP3.15
Rot. Bonds4

About 2,6-dichlorohex-1-ene

2,6-dichlorohex-1-ene (PubChem CID 13050386) has the molecular formula C6H10Cl2 and a molecular weight of 153.05 g/mol. Its IUPAC name is 2,6-dichlorohex-1-ene.

Molecular Properties

Compound Name2,6-dichlorohex-1-ene
PubChem CID13050386
Molecular FormulaC6H10Cl2
Molecular Weight153.05 g/mol
Exact Mass152.02
IUPAC Name2,6-dichlorohex-1-ene
SMILESC=C(Cl)CCCCCl
InChIInChI=1S/C6H10Cl2/c1-6(8)4-2-3-5-7/h1-5H2
InChIKeyGATYIWRMDGWOCG-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.05
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,6-dichlorohex-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chlorohex-5-en-1-ol
CID 13050385
8-chloro-2-methyloct-1-ene
CID 24721692
2-chlorohex-1-ene
CID 10986202
7-chloroheptanoic acid
CID 13188
chloromethane;11-chloroundecanoic acid
CID 162366476
5-chloro-2-methylidenepentanoyl chloride
CID 126970691
1,15-dichloropentadecan-8-one
CID 175201480
2,9-dichloronon-1-en-1-one
CID 174703689
5-chlorohex-5-enylcyclohexane
CID 174971012
7-chloro-2-methoxyhept-1-en-3-one
CID 24976900
1,11-dichloroundecane-5,7-dione
CID 154391115
7-chlorooct-7-enyl acetate
CID 24722134

Frequently Asked Questions

What is the IUPAC name of 2,6-dichlorohex-1-ene?
The IUPAC name of 2,6-dichlorohex-1-ene (CID 13050386) is 2,6-dichlorohex-1-ene.
What is the SMILES notation for 2,6-dichlorohex-1-ene?
The canonical SMILES for 2,6-dichlorohex-1-ene is C=C(Cl)CCCCCl.
What is the InChIKey of 2,6-dichlorohex-1-ene?
The InChIKey is GATYIWRMDGWOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2/c1-6(8)4-2-3-5-7/h1-5H2.
What are the key properties of 2,6-dichlorohex-1-ene?
2,6-dichlorohex-1-ene has a molecular weight of 153.05 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichlorohex-1-ene is sourced from PubChem (CID 13050386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).