(3Z,5Z)-3,4-dichloroocta-1,3,5-triene

C8H10Cl2 — CID 88957230

IUPAC(3Z,5Z)-3,4-dichloroocta-1,3,5-triene
SMILESC=C/C(Cl)=C(Cl)\C=C/CC
InChIInChI=1S/C8H10Cl2/c1-3-5-6-8(10)7(9)4-2/h4-6H,2-3H2,1H3/b6-5-,8-7-
InChIKeyURYZCVLDBOATLI-ISTTXYCBSA-N
MW177.07 g/mol
LogP3.83
Rot. Bonds3

About (3Z,5Z)-3,4-dichloroocta-1,3,5-triene

(3Z,5Z)-3,4-dichloroocta-1,3,5-triene (PubChem CID 88957230) has the molecular formula C8H10Cl2 and a molecular weight of 177.07 g/mol. Its IUPAC name is (3Z,5Z)-3,4-dichloroocta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-3,4-dichloroocta-1,3,5-triene
PubChem CID88957230
Molecular FormulaC8H10Cl2
Molecular Weight177.07 g/mol
Exact Mass176.02
IUPAC Name(3Z,5Z)-3,4-dichloroocta-1,3,5-triene
SMILESC=C/C(Cl)=C(Cl)\C=C/CC
InChIInChI=1S/C8H10Cl2/c1-3-5-6-8(10)7(9)4-2/h4-6H,2-3H2,1H3/b6-5-,8-7-
InChIKeyURYZCVLDBOATLI-ISTTXYCBSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.07
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3E,5Z)-2,4-dichloro-3-methylocta-3,5-diene
CID 134377711
(3E,5Z)-3-methylocta-1,3,5-trien-4-amine
CID 88993026
(3E,5E)-4-ethenylocta-1,3,5-triene
CID 142003848
(3E,5Z)-3-chloroocta-1,3,5-triene
CID 143682156
4-ethenyl-3-ethylocta-3,5-diene
CID 91004805
2-methylhexa-1,3-diene;prop-2-enoic acid
CID 161153984
ethane;(4Z)-N-methylhepta-1,4-dien-3-imine
CID 144693446
ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
(Z)-2-[(Z)-but-1-enyl]-3-ethenylbut-2-enedioic acid
CID 142315455
N-[(5Z)-3-ethenylocta-1,3,5-trien-4-yl]methanimine
CID 153398370
(3Z)-4-methylocta-1,3,5-triene
CID 142968936
3,4-dichloropenta-1,3-diene
CID 91053470

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3,4-dichloroocta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-3,4-dichloroocta-1,3,5-triene (CID 88957230) is (3Z,5Z)-3,4-dichloroocta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-3,4-dichloroocta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-3,4-dichloroocta-1,3,5-triene is C=C/C(Cl)=C(Cl)\C=C/CC.
What is the InChIKey of (3Z,5Z)-3,4-dichloroocta-1,3,5-triene?
The InChIKey is URYZCVLDBOATLI-ISTTXYCBSA-N. The full InChI is InChI=1S/C8H10Cl2/c1-3-5-6-8(10)7(9)4-2/h4-6H,2-3H2,1H3/b6-5-,8-7-.
What are the key properties of (3Z,5Z)-3,4-dichloroocta-1,3,5-triene?
(3Z,5Z)-3,4-dichloroocta-1,3,5-triene has a molecular weight of 177.07 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3,4-dichloroocta-1,3,5-triene is sourced from PubChem (CID 88957230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).