(4Z,6Z)-4,7-dichloro-2-methylocta-2,4,6-triene

C9H12Cl2 — CID 23272827

IUPAC(4Z,6Z)-4,7-dichloro-2-methylocta-2,4,6-triene
SMILESCC(C)=C/C(Cl)=C/C=C(/C)Cl
InChIInChI=1S/C9H12Cl2/c1-7(2)6-9(11)5-4-8(3)10/h4-6H,1-3H3/b8-4-,9-5-
InChIKeyVGZWHZYOEFHZOD-XEQVNJCQSA-N
MW191.10 g/mol
LogP4.22
Rot. Bonds2

About (4Z,6Z)-4,7-dichloro-2-methylocta-2,4,6-triene

(4Z,6Z)-4,7-dichloro-2-methylocta-2,4,6-triene (PubChem CID 23272827) has the molecular formula C9H12Cl2 and a molecular weight of 191.10 g/mol. Its IUPAC name is (4Z,6Z)-4,7-dichloro-2-methylocta-2,4,6-triene.

Molecular Properties

Compound Name(4Z,6Z)-4,7-dichloro-2-methylocta-2,4,6-triene
PubChem CID23272827
Molecular FormulaC9H12Cl2
Molecular Weight191.10 g/mol
Exact Mass190.03
IUPAC Name(4Z,6Z)-4,7-dichloro-2-methylocta-2,4,6-triene
SMILESCC(C)=C/C(Cl)=C/C=C(/C)Cl
InChIInChI=1S/C9H12Cl2/c1-7(2)6-9(11)5-4-8(3)10/h4-6H,1-3H3/b8-4-,9-5-
InChIKeyVGZWHZYOEFHZOD-XEQVNJCQSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.10
LogP ≤ 54.22
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

(4Z)-4-chloro-5-fluoro-2-methylhepta-2,4-diene
CID 142966320
6-chloro-3-methylhepta-3,5-dien-2-one
CID 123359720
(2E,4E)-2-chloro-5-methoxyhexa-2,4-diene
CID 122521311
(3E)-4-chloro-6-methyl-2-methylidenehepta-3,5-dienoic acid
CID 166818002
(1E)-1-chloro-1-fluoro-4-methylpenta-1,3-diene
CID 87088644
[(Z)-3-chlorobut-2-enylidene]-dimethylazanium
CID 21132458
(3E,5E)-6-chloro-3-methylhepta-3,5-dienoyl chloride
CID 155315731
(3Z,5E)-2,6-dichlorohepta-1,3,5-triene
CID 89197889
CID 166111126
CID 166111126
2,4,7-trimethylocta-2,4,6-triene
CID 162298746
(3E,5E)-6-chlorohepta-1,3,5-triene-3-sulfinic acid
CID 154972761
(2Z)-1,3-dichloro-2,5-dimethylhexa-2,4-diene
CID 102247621

Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-4,7-dichloro-2-methylocta-2,4,6-triene?
The IUPAC name of (4Z,6Z)-4,7-dichloro-2-methylocta-2,4,6-triene (CID 23272827) is (4Z,6Z)-4,7-dichloro-2-methylocta-2,4,6-triene.
What is the SMILES notation for (4Z,6Z)-4,7-dichloro-2-methylocta-2,4,6-triene?
The canonical SMILES for (4Z,6Z)-4,7-dichloro-2-methylocta-2,4,6-triene is CC(C)=C/C(Cl)=C/C=C(/C)Cl.
What is the InChIKey of (4Z,6Z)-4,7-dichloro-2-methylocta-2,4,6-triene?
The InChIKey is VGZWHZYOEFHZOD-XEQVNJCQSA-N. The full InChI is InChI=1S/C9H12Cl2/c1-7(2)6-9(11)5-4-8(3)10/h4-6H,1-3H3/b8-4-,9-5-.
What are the key properties of (4Z,6Z)-4,7-dichloro-2-methylocta-2,4,6-triene?
(4Z,6Z)-4,7-dichloro-2-methylocta-2,4,6-triene has a molecular weight of 191.10 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-4,7-dichloro-2-methylocta-2,4,6-triene is sourced from PubChem (CID 23272827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).