4-(2-bromobutan-2-yloxymethyl)nonane

C14H29BrO — CID 134256623

IUPAC4-(2-bromobutan-2-yloxymethyl)nonane
SMILESCCCCCC(CCC)COC(C)(Br)CC
InChIInChI=1S/C14H29BrO/c1-5-8-9-11-13(10-6-2)12-16-14(4,15)7-3/h13H,5-12H2,1-4H3
InChIKeyVCOQNUVIHMLBEV-UHFFFAOYSA-N
MW293.29 g/mol
LogP5.52
Rot. Bonds10

About 4-(2-bromobutan-2-yloxymethyl)nonane

4-(2-bromobutan-2-yloxymethyl)nonane (PubChem CID 134256623) has the molecular formula C14H29BrO and a molecular weight of 293.29 g/mol. Its IUPAC name is 4-(2-bromobutan-2-yloxymethyl)nonane.

Molecular Properties

Compound Name4-(2-bromobutan-2-yloxymethyl)nonane
PubChem CID134256623
Molecular FormulaC14H29BrO
Molecular Weight293.29 g/mol
Exact Mass292.14
IUPAC Name4-(2-bromobutan-2-yloxymethyl)nonane
SMILESCCCCCC(CCC)COC(C)(Br)CC
InChIInChI=1S/C14H29BrO/c1-5-8-9-11-13(10-6-2)12-16-14(4,15)7-3/h13H,5-12H2,1-4H3
InChIKeyVCOQNUVIHMLBEV-UHFFFAOYSA-N
XLogP5.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.29
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

4-(2-propylheptoxymethyl)nonane
CID 56652319
4-(ethoxymethyl)nonane
CID 87066523
4-(butoxymethyl)nonane
CID 87066766
tris(2-propylheptyl) borate
CID 89239536
15-propylpentatriacontane
CID 91540514
12-propylhenpentacontane
CID 123984579
13-propylheptacosane
CID 90872787
13-propylpentacosane
CID 21183364
9-propyltricosane
CID 54290141
16-propylhexatriacontane
CID 91313942
6-propyltetracosane
CID 91039357
15-(2-tetradecyloctadecoxymethyl)hentriacontane
CID 19909391

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromobutan-2-yloxymethyl)nonane?
The IUPAC name of 4-(2-bromobutan-2-yloxymethyl)nonane (CID 134256623) is 4-(2-bromobutan-2-yloxymethyl)nonane.
What is the SMILES notation for 4-(2-bromobutan-2-yloxymethyl)nonane?
The canonical SMILES for 4-(2-bromobutan-2-yloxymethyl)nonane is CCCCCC(CCC)COC(C)(Br)CC.
What is the InChIKey of 4-(2-bromobutan-2-yloxymethyl)nonane?
The InChIKey is VCOQNUVIHMLBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29BrO/c1-5-8-9-11-13(10-6-2)12-16-14(4,15)7-3/h13H,5-12H2,1-4H3.
What are the key properties of 4-(2-bromobutan-2-yloxymethyl)nonane?
4-(2-bromobutan-2-yloxymethyl)nonane has a molecular weight of 293.29 g/mol, XLogP of 5.52, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromobutan-2-yloxymethyl)nonane is sourced from PubChem (CID 134256623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).