(2Z)-1,3-dichloro-2,5-dimethylhexa-2,4-diene

C8H12Cl2 — CID 102247621

IUPAC(2Z)-1,3-dichloro-2,5-dimethylhexa-2,4-diene
SMILESCC(C)=C/C(Cl)=C(\C)CCl
InChIInChI=1S/C8H12Cl2/c1-6(2)4-8(10)7(3)5-9/h4H,5H2,1-3H3/b8-7-
InChIKeyYJYGSUOFRDOYHZ-FPLPWBNLSA-N
MW179.09 g/mol
LogP3.70
Rot. Bonds2

About (2Z)-1,3-dichloro-2,5-dimethylhexa-2,4-diene

(2Z)-1,3-dichloro-2,5-dimethylhexa-2,4-diene (PubChem CID 102247621) has the molecular formula C8H12Cl2 and a molecular weight of 179.09 g/mol. Its IUPAC name is (2Z)-1,3-dichloro-2,5-dimethylhexa-2,4-diene.

Molecular Properties

Compound Name(2Z)-1,3-dichloro-2,5-dimethylhexa-2,4-diene
PubChem CID102247621
Molecular FormulaC8H12Cl2
Molecular Weight179.09 g/mol
Exact Mass178.03
IUPAC Name(2Z)-1,3-dichloro-2,5-dimethylhexa-2,4-diene
SMILESCC(C)=C/C(Cl)=C(\C)CCl
InChIInChI=1S/C8H12Cl2/c1-6(2)4-8(10)7(3)5-9/h4H,5H2,1-3H3/b8-7-
InChIKeyYJYGSUOFRDOYHZ-FPLPWBNLSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.09
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-chloro-5-fluoro-2-methylhepta-2,4-diene
CID 142966320
1-chloro-2,6-dimethylhepta-2,5-dien-4-one;methanol
CID 159580944
3-chloro-2-ethanimidoyl-5-methylhexa-2,4-dienenitrile
CID 123288832
(3E)-2-amino-4-chloro-6-methylhepta-3,5-diene-3-thiol
CID 130437655
N-(1,3-dichloro-4-methylhexa-1,3-dienyl)propan-2-imine
CID 123746419
3,4,5-trichloropenta-1,3-diene
CID 174775530
(E)-1,2,3-trichlorobut-2-ene
CID 3035847
(4Z,6Z)-4,7-dichloro-2-methylocta-2,4,6-triene
CID 23272827
alumane;2-methylbut-2-ene
CID 174293100
(E)-1,5-dichloro-4-methylpent-3-en-2-one
CID 5367734
2-bromo-6-chloro-4-(1-chloropropan-2-ylidene)octa-1,6-diene
CID 87880865
dimethylamino 4-chloro-2,3-dimethylbut-2-enoate
CID 57124176

Frequently Asked Questions

What is the IUPAC name of (2Z)-1,3-dichloro-2,5-dimethylhexa-2,4-diene?
The IUPAC name of (2Z)-1,3-dichloro-2,5-dimethylhexa-2,4-diene (CID 102247621) is (2Z)-1,3-dichloro-2,5-dimethylhexa-2,4-diene.
What is the SMILES notation for (2Z)-1,3-dichloro-2,5-dimethylhexa-2,4-diene?
The canonical SMILES for (2Z)-1,3-dichloro-2,5-dimethylhexa-2,4-diene is CC(C)=C/C(Cl)=C(\C)CCl.
What is the InChIKey of (2Z)-1,3-dichloro-2,5-dimethylhexa-2,4-diene?
The InChIKey is YJYGSUOFRDOYHZ-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H12Cl2/c1-6(2)4-8(10)7(3)5-9/h4H,5H2,1-3H3/b8-7-.
What are the key properties of (2Z)-1,3-dichloro-2,5-dimethylhexa-2,4-diene?
(2Z)-1,3-dichloro-2,5-dimethylhexa-2,4-diene has a molecular weight of 179.09 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1,3-dichloro-2,5-dimethylhexa-2,4-diene is sourced from PubChem (CID 102247621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).