1-bromo-3-methylnonane

C10H21Br — CID 15070878

IUPAC1-bromo-3-methylnonane
SMILESCCCCCCC(C)CCBr
InChIInChI=1S/C10H21Br/c1-3-4-5-6-7-10(2)8-9-11/h10H,3-9H2,1-2H3
InChIKeyIYNUQZCMERXSEQ-UHFFFAOYSA-N
MW221.18 g/mol
LogP4.38
Rot. Bonds7

About 1-bromo-3-methylnonane

1-bromo-3-methylnonane (PubChem CID 15070878) has the molecular formula C10H21Br and a molecular weight of 221.18 g/mol. Its IUPAC name is 1-bromo-3-methylnonane.

Molecular Properties

Compound Name1-bromo-3-methylnonane
PubChem CID15070878
Molecular FormulaC10H21Br
Molecular Weight221.18 g/mol
Exact Mass220.08
IUPAC Name1-bromo-3-methylnonane
SMILESCCCCCCC(C)CCBr
InChIInChI=1S/C10H21Br/c1-3-4-5-6-7-10(2)8-9-11/h10H,3-9H2,1-2H3
InChIKeyIYNUQZCMERXSEQ-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-methylnonane?
The IUPAC name of 1-bromo-3-methylnonane (CID 15070878) is 1-bromo-3-methylnonane.
What is the SMILES notation for 1-bromo-3-methylnonane?
The canonical SMILES for 1-bromo-3-methylnonane is CCCCCCC(C)CCBr.
What is the InChIKey of 1-bromo-3-methylnonane?
The InChIKey is IYNUQZCMERXSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21Br/c1-3-4-5-6-7-10(2)8-9-11/h10H,3-9H2,1-2H3.
What are the key properties of 1-bromo-3-methylnonane?
1-bromo-3-methylnonane has a molecular weight of 221.18 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-methylnonane is sourced from PubChem (CID 15070878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).