(8S)-9-bromo-8-methylnon-1-ene

C10H19Br — CID 125475999

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

About (8S)-9-bromo-8-methylnon-1-ene

(8S)-9-bromo-8-methylnon-1-ene (PubChem CID 125475999) has the molecular formula C10H19Br and a molecular weight of 219.17 g/mol. Its IUPAC name is (8S)-9-bromo-8-methylnon-1-ene.

Molecular Properties

Compound Name(8S)-9-bromo-8-methylnon-1-ene
PubChem CID125475999
Molecular FormulaC10H19Br
Molecular Weight219.17 g/mol
Exact Mass218.07
IUPAC Name(8S)-9-bromo-8-methylnon-1-ene
SMILESC=CCCCCC[C@H](C)CBr
InChIInChI=1S/C10H19Br/c1-3-4-5-6-7-8-10(2)9-11/h3,10H,1,4-9H2,2H3/t10-/m0/s1
InChIKeyAAYFLBICLJKHQO-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 (8S)-9-bromo-8-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

Related Compounds

14-methylhexadec-1-ene
CID 86185732
11-methyltridec-1-ene
CID 528465
8-methylnonadec-1-ene
CID 90877384
13-methylhexadec-1-ene
CID 71373615
14,18,22-trimethylpentacos-1-ene
CID 91259502
25-methylhexacos-1-ene
CID 141407501
26-methylheptacos-1-ene
CID 154926473
7-methylundec-1-ene
CID 522554
12-propan-2-yltricosa-1,22-diene
CID 102161324
11-bromohenicosa-1,20-diene
CID 102253799
8-bromo-7-chlorooct-1-ene
CID 141314878
1-bromooct-7-en-2-ol
CID 12003548

Frequently Asked Questions

What is the IUPAC name of (8S)-9-bromo-8-methylnon-1-ene?
The IUPAC name of (8S)-9-bromo-8-methylnon-1-ene (CID 125475999) is (8S)-9-bromo-8-methylnon-1-ene.
What is the SMILES notation for (8S)-9-bromo-8-methylnon-1-ene?
The canonical SMILES for (8S)-9-bromo-8-methylnon-1-ene is C=CCCCCC[C@H](C)CBr.
What is the InChIKey of (8S)-9-bromo-8-methylnon-1-ene?
The InChIKey is AAYFLBICLJKHQO-JTQLQIEISA-N. The full InChI is InChI=1S/C10H19Br/c1-3-4-5-6-7-8-10(2)9-11/h3,10H,1,4-9H2,2H3/t10-/m0/s1.
What are the key properties of (8S)-9-bromo-8-methylnon-1-ene?
(8S)-9-bromo-8-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 (8S)-9-bromo-8-methylnon-1-ene is sourced from PubChem (CID 125475999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).