7-chloro-3,7-dimethylocta-2,5-diene

C10H17Cl — CID 71389949

IUPAC7-chloro-3,7-dimethylocta-2,5-diene
SMILESCC=C(C)CC=CC(C)(C)Cl
InChIInChI=1S/C10H17Cl/c1-5-9(2)7-6-8-10(3,4)11/h5-6,8H,7H2,1-4H3
InChIKeyCDFDNYBAYQXZHL-UHFFFAOYSA-N
MW172.70 g/mol
LogP3.92
Rot. Bonds3

About 7-chloro-3,7-dimethylocta-2,5-diene

7-chloro-3,7-dimethylocta-2,5-diene (PubChem CID 71389949) has the molecular formula C10H17Cl and a molecular weight of 172.70 g/mol. Its IUPAC name is 7-chloro-3,7-dimethylocta-2,5-diene.

Molecular Properties

Compound Name7-chloro-3,7-dimethylocta-2,5-diene
PubChem CID71389949
Molecular FormulaC10H17Cl
Molecular Weight172.70 g/mol
Exact Mass172.10
IUPAC Name7-chloro-3,7-dimethylocta-2,5-diene
SMILESCC=C(C)CC=CC(C)(C)Cl
InChIInChI=1S/C10H17Cl/c1-5-9(2)7-6-8-10(3,4)11/h5-6,8H,7H2,1-4H3
InChIKeyCDFDNYBAYQXZHL-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'}

Analyze 7-chloro-3,7-dimethylocta-2,5-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3,7-dimethylocta-2,5-diene?
The IUPAC name of 7-chloro-3,7-dimethylocta-2,5-diene (CID 71389949) is 7-chloro-3,7-dimethylocta-2,5-diene.
What is the SMILES notation for 7-chloro-3,7-dimethylocta-2,5-diene?
The canonical SMILES for 7-chloro-3,7-dimethylocta-2,5-diene is CC=C(C)CC=CC(C)(C)Cl.
What is the InChIKey of 7-chloro-3,7-dimethylocta-2,5-diene?
The InChIKey is CDFDNYBAYQXZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl/c1-5-9(2)7-6-8-10(3,4)11/h5-6,8H,7H2,1-4H3.
What are the key properties of 7-chloro-3,7-dimethylocta-2,5-diene?
7-chloro-3,7-dimethylocta-2,5-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 7-chloro-3,7-dimethylocta-2,5-diene is sourced from PubChem (CID 71389949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).