(1E,3Z,5E)-1,6-dichloro-3-methylhexa-1,3,5-triene

C7H8Cl2 — CID 88535006

IUPAC(1E,3Z,5E)-1,6-dichloro-3-methylhexa-1,3,5-triene
SMILESCC(=C/C=C/Cl)/C=C/Cl
InChIInChI=1S/C7H8Cl2/c1-7(4-6-9)3-2-5-8/h2-6H,1H3/b5-2+,6-4+,7-3-
InChIKeyQLBAYVDDCBVJRO-ZPVSMGMDSA-N
MW163.05 g/mol
LogP3.44
Rot. Bonds2

About (1E,3Z,5E)-1,6-dichloro-3-methylhexa-1,3,5-triene

(1E,3Z,5E)-1,6-dichloro-3-methylhexa-1,3,5-triene (PubChem CID 88535006) has the molecular formula C7H8Cl2 and a molecular weight of 163.05 g/mol. Its IUPAC name is (1E,3Z,5E)-1,6-dichloro-3-methylhexa-1,3,5-triene.

Molecular Properties

Compound Name(1E,3Z,5E)-1,6-dichloro-3-methylhexa-1,3,5-triene
PubChem CID88535006
Molecular FormulaC7H8Cl2
Molecular Weight163.05 g/mol
Exact Mass162.00
IUPAC Name(1E,3Z,5E)-1,6-dichloro-3-methylhexa-1,3,5-triene
SMILESCC(=C/C=C/Cl)/C=C/Cl
InChIInChI=1S/C7H8Cl2/c1-7(4-6-9)3-2-5-8/h2-6H,1H3/b5-2+,6-4+,7-3-
InChIKeyQLBAYVDDCBVJRO-ZPVSMGMDSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.05
LogP ≤ 53.44
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

1,3-Butadiene, 1-chloro-2-methyl-
CID 5463145
Clgcpmmrvhtfft-xqrvvysfsa-
CID 13723863
1-Chloro-3-methylbuta-1,3-diene
CID 54266454
Chlorocimene
CID 129865500
Dichlorohexadiene
CID 55303313
(1Z,3Z)-1-chloro-2-fluoro-4-methylhexa-1,3,5-triene
CID 89143199
1,3-Butadiene, 1-chloro-3-methyl-
CID 12615564
5-Chloro-3-methylpenta-1,3-diene
CID 642196
Divinyl allyl chloride
CID 129774099
2,5-Dimethyl-1,6-dichloro-1,3,5-hexatriene
CID 6435424
(3E)-5-chloro-2-fluoro-3-methylpenta-1,3-diene
CID 55298596
(3E)-5-chloro-4-fluoro-3-methylpenta-1,3-diene
CID 55298607

Frequently Asked Questions

What is the IUPAC name of (1E,3Z,5E)-1,6-dichloro-3-methylhexa-1,3,5-triene?
The IUPAC name of (1E,3Z,5E)-1,6-dichloro-3-methylhexa-1,3,5-triene (CID 88535006) is (1E,3Z,5E)-1,6-dichloro-3-methylhexa-1,3,5-triene.
What is the SMILES notation for (1E,3Z,5E)-1,6-dichloro-3-methylhexa-1,3,5-triene?
The canonical SMILES for (1E,3Z,5E)-1,6-dichloro-3-methylhexa-1,3,5-triene is CC(=C/C=C/Cl)/C=C/Cl.
What is the InChIKey of (1E,3Z,5E)-1,6-dichloro-3-methylhexa-1,3,5-triene?
The InChIKey is QLBAYVDDCBVJRO-ZPVSMGMDSA-N. The full InChI is InChI=1S/C7H8Cl2/c1-7(4-6-9)3-2-5-8/h2-6H,1H3/b5-2+,6-4+,7-3-.
What are the key properties of (1E,3Z,5E)-1,6-dichloro-3-methylhexa-1,3,5-triene?
(1E,3Z,5E)-1,6-dichloro-3-methylhexa-1,3,5-triene has a molecular weight of 163.05 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5E)-1,6-dichloro-3-methylhexa-1,3,5-triene is sourced from PubChem (CID 88535006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).