(3Z,5E)-2,6-dichloro-5-methylhepta-1,3,5-triene

C8H10Cl2 — CID 142010066

IUPAC(3Z,5E)-2,6-dichloro-5-methylhepta-1,3,5-triene
SMILESC=C(Cl)/C=C\C(C)=C(/C)Cl
InChIInChI=1S/C8H10Cl2/c1-6(8(3)10)4-5-7(2)9/h4-5H,2H2,1,3H3/b5-4-,8-6+
InChIKeyHDJQWDLWKRMQKZ-GSGSLZOQSA-N
MW177.07 g/mol
LogP3.83
Rot. Bonds2

About (3Z,5E)-2,6-dichloro-5-methylhepta-1,3,5-triene

(3Z,5E)-2,6-dichloro-5-methylhepta-1,3,5-triene (PubChem CID 142010066) has the molecular formula C8H10Cl2 and a molecular weight of 177.07 g/mol. Its IUPAC name is (3Z,5E)-2,6-dichloro-5-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-2,6-dichloro-5-methylhepta-1,3,5-triene
PubChem CID142010066
Molecular FormulaC8H10Cl2
Molecular Weight177.07 g/mol
Exact Mass176.02
IUPAC Name(3Z,5E)-2,6-dichloro-5-methylhepta-1,3,5-triene
SMILESC=C(Cl)/C=C\C(C)=C(/C)Cl
InChIInChI=1S/C8H10Cl2/c1-6(8(3)10)4-5-7(2)9/h4-5H,2H2,1,3H3/b5-4-,8-6+
InChIKeyHDJQWDLWKRMQKZ-GSGSLZOQSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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

2-chloro-5-methylhepta-1,3,5-triene
CID 123971323
(3Z)-2-chloro-5-methylhexa-1,3,5-triene;propane
CID 142924242
(3Z,5E)-2,6-dichlorohepta-1,3,5-triene
CID 89197889
6-chlorohepta-2,4,6-trien-3-ylazanium
CID 163699739
(3Z)-5-chlorohexa-1,3,5-trien-2-amine
CID 134351965
2,6-dichloro-5-methylidenehepta-1,3,6-triene
CID 91115524
(3Z,5E)-2,5-dichloro-7-fluoro-6-methylhepta-1,3,5-triene
CID 135192472
N-(3-chlorobuta-1,3-dienyl)ethanimine
CID 123742417
2-chloropenta-1,3-diene;pent-3-en-2-one
CID 163430879
(3Z)-2-chloro-5-methylhexa-1,3-diene
CID 129234698
(3Z,5Z)-5,6-dichloro-2-methylhepta-1,3,5-triene
CID 88950589
2-chloro-5-methylhexa-1,3-diene
CID 91414508

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-2,6-dichloro-5-methylhepta-1,3,5-triene?
The IUPAC name of (3Z,5E)-2,6-dichloro-5-methylhepta-1,3,5-triene (CID 142010066) is (3Z,5E)-2,6-dichloro-5-methylhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-2,6-dichloro-5-methylhepta-1,3,5-triene?
The canonical SMILES for (3Z,5E)-2,6-dichloro-5-methylhepta-1,3,5-triene is C=C(Cl)/C=C\C(C)=C(/C)Cl.
What is the InChIKey of (3Z,5E)-2,6-dichloro-5-methylhepta-1,3,5-triene?
The InChIKey is HDJQWDLWKRMQKZ-GSGSLZOQSA-N. The full InChI is InChI=1S/C8H10Cl2/c1-6(8(3)10)4-5-7(2)9/h4-5H,2H2,1,3H3/b5-4-,8-6+.
What are the key properties of (3Z,5E)-2,6-dichloro-5-methylhepta-1,3,5-triene?
(3Z,5E)-2,6-dichloro-5-methylhepta-1,3,5-triene has a molecular weight of 177.07 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-2,6-dichloro-5-methylhepta-1,3,5-triene is sourced from PubChem (CID 142010066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).