(1E)-1,5-dichloro-3-methylhexa-1,5-diene

C7H10Cl2 — CID 143838570

IUPAC(1E)-1,5-dichloro-3-methylhexa-1,5-diene
SMILESC=C(Cl)CC(C)/C=C/Cl
InChIInChI=1S/C7H10Cl2/c1-6(3-4-8)5-7(2)9/h3-4,6H,2,5H2,1H3/b4-3+
InChIKeyCSLFBCHMOZOOQF-ONEGZZNKSA-N
MW165.06 g/mol
LogP3.52
Rot. Bonds3

About (1E)-1,5-dichloro-3-methylhexa-1,5-diene

(1E)-1,5-dichloro-3-methylhexa-1,5-diene (PubChem CID 143838570) has the molecular formula C7H10Cl2 and a molecular weight of 165.06 g/mol. Its IUPAC name is (1E)-1,5-dichloro-3-methylhexa-1,5-diene.

Molecular Properties

Compound Name(1E)-1,5-dichloro-3-methylhexa-1,5-diene
PubChem CID143838570
Molecular FormulaC7H10Cl2
Molecular Weight165.06 g/mol
Exact Mass164.02
IUPAC Name(1E)-1,5-dichloro-3-methylhexa-1,5-diene
SMILESC=C(Cl)CC(C)/C=C/Cl
InChIInChI=1S/C7H10Cl2/c1-6(3-4-8)5-7(2)9/h3-4,6H,2,5H2,1H3/b4-3+
InChIKeyCSLFBCHMOZOOQF-ONEGZZNKSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.06
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1E)-1,5-dichloro-3-methylhexa-1,5-diene?
The IUPAC name of (1E)-1,5-dichloro-3-methylhexa-1,5-diene (CID 143838570) is (1E)-1,5-dichloro-3-methylhexa-1,5-diene.
What is the SMILES notation for (1E)-1,5-dichloro-3-methylhexa-1,5-diene?
The canonical SMILES for (1E)-1,5-dichloro-3-methylhexa-1,5-diene is C=C(Cl)CC(C)/C=C/Cl.
What is the InChIKey of (1E)-1,5-dichloro-3-methylhexa-1,5-diene?
The InChIKey is CSLFBCHMOZOOQF-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H10Cl2/c1-6(3-4-8)5-7(2)9/h3-4,6H,2,5H2,1H3/b4-3+.
What are the key properties of (1E)-1,5-dichloro-3-methylhexa-1,5-diene?
(1E)-1,5-dichloro-3-methylhexa-1,5-diene has a molecular weight of 165.06 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1,5-dichloro-3-methylhexa-1,5-diene is sourced from PubChem (CID 143838570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).