(3R)-2-(bromomethyl)-3,7-dimethylocta-1,6-diene

C11H19Br — CID 25147021

IUPAC(3R)-2-(bromomethyl)-3,7-dimethylocta-1,6-diene
SMILESC=C(CBr)[C@H](C)CCC=C(C)C
InChIInChI=1S/C11H19Br/c1-9(2)6-5-7-10(3)11(4)8-12/h6,10H,4-5,7-8H2,1-3H3/t10-/m1/s1
InChIKeyGSAKKRSPODEXEU-SNVBAGLBSA-N
MW231.18 g/mol
LogP4.32
Rot. Bonds5

About (3R)-2-(bromomethyl)-3,7-dimethylocta-1,6-diene

(3R)-2-(bromomethyl)-3,7-dimethylocta-1,6-diene (PubChem CID 25147021) has the molecular formula C11H19Br and a molecular weight of 231.18 g/mol. Its IUPAC name is (3R)-2-(bromomethyl)-3,7-dimethylocta-1,6-diene.

Molecular Properties

Compound Name(3R)-2-(bromomethyl)-3,7-dimethylocta-1,6-diene
PubChem CID25147021
Molecular FormulaC11H19Br
Molecular Weight231.18 g/mol
Exact Mass230.07
IUPAC Name(3R)-2-(bromomethyl)-3,7-dimethylocta-1,6-diene
SMILESC=C(CBr)[C@H](C)CCC=C(C)C
InChIInChI=1S/C11H19Br/c1-9(2)6-5-7-10(3)11(4)8-12/h6,10H,4-5,7-8H2,1-3H3/t10-/m1/s1
InChIKeyGSAKKRSPODEXEU-SNVBAGLBSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 54.32
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 (3R)-2-(bromomethyl)-3,7-dimethylocta-1,6-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 (3R)-2-(bromomethyl)-3,7-dimethylocta-1,6-diene?
The IUPAC name of (3R)-2-(bromomethyl)-3,7-dimethylocta-1,6-diene (CID 25147021) is (3R)-2-(bromomethyl)-3,7-dimethylocta-1,6-diene.
What is the SMILES notation for (3R)-2-(bromomethyl)-3,7-dimethylocta-1,6-diene?
The canonical SMILES for (3R)-2-(bromomethyl)-3,7-dimethylocta-1,6-diene is C=C(CBr)[C@H](C)CCC=C(C)C.
What is the InChIKey of (3R)-2-(bromomethyl)-3,7-dimethylocta-1,6-diene?
The InChIKey is GSAKKRSPODEXEU-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H19Br/c1-9(2)6-5-7-10(3)11(4)8-12/h6,10H,4-5,7-8H2,1-3H3/t10-/m1/s1.
What are the key properties of (3R)-2-(bromomethyl)-3,7-dimethylocta-1,6-diene?
(3R)-2-(bromomethyl)-3,7-dimethylocta-1,6-diene has a molecular weight of 231.18 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(bromomethyl)-3,7-dimethylocta-1,6-diene is sourced from PubChem (CID 25147021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).