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

C8H10Cl2 — CID 88950589

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

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

(3Z,5Z)-5,6-dichloro-2-methylhepta-1,3,5-triene (PubChem CID 88950589) has the molecular formula C8H10Cl2 and a molecular weight of 177.07 g/mol. Its IUPAC name is (3Z,5Z)-5,6-dichloro-2-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-5,6-dichloro-2-methylhepta-1,3,5-triene
PubChem CID88950589
Molecular FormulaC8H10Cl2
Molecular Weight177.07 g/mol
Exact Mass176.02
IUPAC Name(3Z,5Z)-5,6-dichloro-2-methylhepta-1,3,5-triene
SMILESC=C(C)/C=C\C(Cl)=C(/C)Cl
InChIInChI=1S/C8H10Cl2/c1-6(2)4-5-8(10)7(3)9/h4-5H,1H2,2-3H3/b5-4-,8-7-
InChIKeyJLFQJTZRGLCCCS-UTOQUPLUSA-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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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-5,6-dichloro-2-methylhepta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-5,6-dichloro-2-methylhepta-1,3,5-triene (CID 88950589) is (3Z,5Z)-5,6-dichloro-2-methylhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-5,6-dichloro-2-methylhepta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-5,6-dichloro-2-methylhepta-1,3,5-triene is C=C(C)/C=C\C(Cl)=C(/C)Cl.
What is the InChIKey of (3Z,5Z)-5,6-dichloro-2-methylhepta-1,3,5-triene?
The InChIKey is JLFQJTZRGLCCCS-UTOQUPLUSA-N. The full InChI is InChI=1S/C8H10Cl2/c1-6(2)4-5-8(10)7(3)9/h4-5H,1H2,2-3H3/b5-4-,8-7-.
What are the key properties of (3Z,5Z)-5,6-dichloro-2-methylhepta-1,3,5-triene?
(3Z,5Z)-5,6-dichloro-2-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,5Z)-5,6-dichloro-2-methylhepta-1,3,5-triene is sourced from PubChem (CID 88950589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).