(1Z,5E)-1,2-dichloro-3,4-dimethylhepta-1,5-diene

C9H14Cl2 — CID 155470137

IUPAC(1Z,5E)-1,2-dichloro-3,4-dimethylhepta-1,5-diene
SMILESC/C=C/C(C)C(C)/C(Cl)=C/Cl
InChIInChI=1S/C9H14Cl2/c1-4-5-7(2)8(3)9(11)6-10/h4-8H,1-3H3/b5-4+,9-6-
InChIKeyBOSLFWPOHDQJMA-WEHQGULRSA-N
MW193.12 g/mol
LogP4.15
Rot. Bonds3

About (1Z,5E)-1,2-dichloro-3,4-dimethylhepta-1,5-diene

(1Z,5E)-1,2-dichloro-3,4-dimethylhepta-1,5-diene (PubChem CID 155470137) has the molecular formula C9H14Cl2 and a molecular weight of 193.12 g/mol. Its IUPAC name is (1Z,5E)-1,2-dichloro-3,4-dimethylhepta-1,5-diene.

Molecular Properties

Compound Name(1Z,5E)-1,2-dichloro-3,4-dimethylhepta-1,5-diene
PubChem CID155470137
Molecular FormulaC9H14Cl2
Molecular Weight193.12 g/mol
Exact Mass192.05
IUPAC Name(1Z,5E)-1,2-dichloro-3,4-dimethylhepta-1,5-diene
SMILESC/C=C/C(C)C(C)/C(Cl)=C/Cl
InChIInChI=1S/C9H14Cl2/c1-4-5-7(2)8(3)9(11)6-10/h4-8H,1-3H3/b5-4+,9-6-
InChIKeyBOSLFWPOHDQJMA-WEHQGULRSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,5E)-1,2-dichloro-3,4-dimethylhepta-1,5-diene?
The IUPAC name of (1Z,5E)-1,2-dichloro-3,4-dimethylhepta-1,5-diene (CID 155470137) is (1Z,5E)-1,2-dichloro-3,4-dimethylhepta-1,5-diene.
What is the SMILES notation for (1Z,5E)-1,2-dichloro-3,4-dimethylhepta-1,5-diene?
The canonical SMILES for (1Z,5E)-1,2-dichloro-3,4-dimethylhepta-1,5-diene is C/C=C/C(C)C(C)/C(Cl)=C/Cl.
What is the InChIKey of (1Z,5E)-1,2-dichloro-3,4-dimethylhepta-1,5-diene?
The InChIKey is BOSLFWPOHDQJMA-WEHQGULRSA-N. The full InChI is InChI=1S/C9H14Cl2/c1-4-5-7(2)8(3)9(11)6-10/h4-8H,1-3H3/b5-4+,9-6-.
What are the key properties of (1Z,5E)-1,2-dichloro-3,4-dimethylhepta-1,5-diene?
(1Z,5E)-1,2-dichloro-3,4-dimethylhepta-1,5-diene has a molecular weight of 193.12 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,5E)-1,2-dichloro-3,4-dimethylhepta-1,5-diene is sourced from PubChem (CID 155470137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).