2-bromo-8-methylnonane

C10H21Br — CID 83169222

IUPAC2-bromo-8-methylnonane
SMILESCC(C)CCCCCC(C)Br
InChIInChI=1S/C10H21Br/c1-9(2)7-5-4-6-8-10(3)11/h9-10H,4-8H2,1-3H3
InChIKeyPUQKRNYKATVDOP-UHFFFAOYSA-N
MW221.18 g/mol
LogP4.38
Rot. Bonds6

About 2-bromo-8-methylnonane

2-bromo-8-methylnonane (PubChem CID 83169222) has the molecular formula C10H21Br and a molecular weight of 221.18 g/mol. Its IUPAC name is 2-bromo-8-methylnonane.

Molecular Properties

Compound Name2-bromo-8-methylnonane
PubChem CID83169222
Molecular FormulaC10H21Br
Molecular Weight221.18 g/mol
Exact Mass220.08
IUPAC Name2-bromo-8-methylnonane
SMILESCC(C)CCCCCC(C)Br
InChIInChI=1S/C10H21Br/c1-9(2)7-5-4-6-8-10(3)11/h9-10H,4-8H2,1-3H3
InChIKeyPUQKRNYKATVDOP-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 54.38
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'}

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Related Compounds

2,13-dibromotetradecane
CID 150586187
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
1,6-dibromoheptane
CID 12575830
1,7-dibromooctane
CID 14490019
9-bromodecan-1-ol
CID 18177035
8-bromononan-1-ol
CID 18177005
2-bromo-5-methylhexane
CID 15716192
1-bromo-11-methyldodecane
CID 15569727
1-bromo-20-methylhenicosane
CID 10982010
tris(2,7-dimethyloctane);ethane;methane
CID 159869544
2-methyloctacosane
CID 519147

Frequently Asked Questions

What is the IUPAC name of 2-bromo-8-methylnonane?
The IUPAC name of 2-bromo-8-methylnonane (CID 83169222) is 2-bromo-8-methylnonane.
What is the SMILES notation for 2-bromo-8-methylnonane?
The canonical SMILES for 2-bromo-8-methylnonane is CC(C)CCCCCC(C)Br.
What is the InChIKey of 2-bromo-8-methylnonane?
The InChIKey is PUQKRNYKATVDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21Br/c1-9(2)7-5-4-6-8-10(3)11/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-bromo-8-methylnonane?
2-bromo-8-methylnonane has a molecular weight of 221.18 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-8-methylnonane is sourced from PubChem (CID 83169222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).