(6S)-9-bromo-6-methylnon-1-ene

C10H19Br — CID 10943964

IUPAC(6S)-9-bromo-6-methylnon-1-ene
SMILESC=CCCC[C@H](C)CCCBr
InChIInChI=1S/C10H19Br/c1-3-4-5-7-10(2)8-6-9-11/h3,10H,1,4-9H2,2H3/t10-/m0/s1
InChIKeyAGPBCCXJEDFQDU-JTQLQIEISA-N
MW219.17 g/mol
LogP4.15
Rot. Bonds7

About (6S)-9-bromo-6-methylnon-1-ene

(6S)-9-bromo-6-methylnon-1-ene (PubChem CID 10943964) has the molecular formula C10H19Br and a molecular weight of 219.17 g/mol. Its IUPAC name is (6S)-9-bromo-6-methylnon-1-ene.

Molecular Properties

Compound Name(6S)-9-bromo-6-methylnon-1-ene
PubChem CID10943964
Molecular FormulaC10H19Br
Molecular Weight219.17 g/mol
Exact Mass218.07
IUPAC Name(6S)-9-bromo-6-methylnon-1-ene
SMILESC=CCCC[C@H](C)CCCBr
InChIInChI=1S/C10H19Br/c1-3-4-5-7-10(2)8-6-9-11/h3,10H,1,4-9H2,2H3/t10-/m0/s1
InChIKeyAGPBCCXJEDFQDU-JTQLQIEISA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (6S)-9-bromo-6-methylnon-1-ene 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 (6S)-9-bromo-6-methylnon-1-ene?
The IUPAC name of (6S)-9-bromo-6-methylnon-1-ene (CID 10943964) is (6S)-9-bromo-6-methylnon-1-ene.
What is the SMILES notation for (6S)-9-bromo-6-methylnon-1-ene?
The canonical SMILES for (6S)-9-bromo-6-methylnon-1-ene is C=CCCC[C@H](C)CCCBr.
What is the InChIKey of (6S)-9-bromo-6-methylnon-1-ene?
The InChIKey is AGPBCCXJEDFQDU-JTQLQIEISA-N. The full InChI is InChI=1S/C10H19Br/c1-3-4-5-7-10(2)8-6-9-11/h3,10H,1,4-9H2,2H3/t10-/m0/s1.
What are the key properties of (6S)-9-bromo-6-methylnon-1-ene?
(6S)-9-bromo-6-methylnon-1-ene has a molecular weight of 219.17 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-9-bromo-6-methylnon-1-ene is sourced from PubChem (CID 10943964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).