5-chloro-2,6-dimethylocta-2,6-diene

C10H17Cl — CID 71325447

IUPAC5-chloro-2,6-dimethylocta-2,6-diene
SMILESCC=C(C)C(Cl)CC=C(C)C
InChIInChI=1S/C10H17Cl/c1-5-9(4)10(11)7-6-8(2)3/h5-6,10H,7H2,1-4H3
InChIKeyPOXMFTOMZMDFTO-UHFFFAOYSA-N
MW172.70 g/mol
LogP3.92
Rot. Bonds3

About 5-chloro-2,6-dimethylocta-2,6-diene

5-chloro-2,6-dimethylocta-2,6-diene (PubChem CID 71325447) has the molecular formula C10H17Cl and a molecular weight of 172.70 g/mol. Its IUPAC name is 5-chloro-2,6-dimethylocta-2,6-diene.

Molecular Properties

Compound Name5-chloro-2,6-dimethylocta-2,6-diene
PubChem CID71325447
Molecular FormulaC10H17Cl
Molecular Weight172.70 g/mol
Exact Mass172.10
IUPAC Name5-chloro-2,6-dimethylocta-2,6-diene
SMILESCC=C(C)C(Cl)CC=C(C)C
InChIInChI=1S/C10H17Cl/c1-5-9(4)10(11)7-6-8(2)3/h5-6,10H,7H2,1-4H3
InChIKeyPOXMFTOMZMDFTO-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.70
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,6-dimethylocta-2,6-diene?
The IUPAC name of 5-chloro-2,6-dimethylocta-2,6-diene (CID 71325447) is 5-chloro-2,6-dimethylocta-2,6-diene.
What is the SMILES notation for 5-chloro-2,6-dimethylocta-2,6-diene?
The canonical SMILES for 5-chloro-2,6-dimethylocta-2,6-diene is CC=C(C)C(Cl)CC=C(C)C.
What is the InChIKey of 5-chloro-2,6-dimethylocta-2,6-diene?
The InChIKey is POXMFTOMZMDFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl/c1-5-9(4)10(11)7-6-8(2)3/h5-6,10H,7H2,1-4H3.
What are the key properties of 5-chloro-2,6-dimethylocta-2,6-diene?
5-chloro-2,6-dimethylocta-2,6-diene has a molecular weight of 172.70 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,6-dimethylocta-2,6-diene is sourced from PubChem (CID 71325447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).