3-(bromomethyl)-4-methyl-1-(2-methylpropoxy)pentane

C11H23BrO — CID 106459621

IUPAC3-(bromomethyl)-4-methyl-1-(2-methylpropoxy)pentane
SMILESCC(C)COCCC(CBr)C(C)C
InChIInChI=1S/C11H23BrO/c1-9(2)8-13-6-5-11(7-12)10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyFMCJWOLWDSRLAS-UHFFFAOYSA-N
MW251.21 g/mol
LogP3.72
Rot. Bonds7

About 3-(bromomethyl)-4-methyl-1-(2-methylpropoxy)pentane

3-(bromomethyl)-4-methyl-1-(2-methylpropoxy)pentane (PubChem CID 106459621) has the molecular formula C11H23BrO and a molecular weight of 251.21 g/mol. Its IUPAC name is 3-(bromomethyl)-4-methyl-1-(2-methylpropoxy)pentane.

Molecular Properties

Compound Name3-(bromomethyl)-4-methyl-1-(2-methylpropoxy)pentane
PubChem CID106459621
Molecular FormulaC11H23BrO
Molecular Weight251.21 g/mol
Exact Mass250.09
IUPAC Name3-(bromomethyl)-4-methyl-1-(2-methylpropoxy)pentane
SMILESCC(C)COCCC(CBr)C(C)C
InChIInChI=1S/C11H23BrO/c1-9(2)8-13-6-5-11(7-12)10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyFMCJWOLWDSRLAS-UHFFFAOYSA-N
XLogP3.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 53.72
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

3-methyl-2-[2-(2-methylpropoxy)ethyl]butan-1-ol
CID 106459451
3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethoxy]-4-methylpentane
CID 104568738
3-(bromomethyl)-1-(2-methylpropoxy)hexane
CID 106459617
3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane
CID 90326526
3-methyl-2-[2-(2-methylpropoxy)ethoxymethyl]butane-1-thiol
CID 106451137
3-methyl-1-[3-(2-methylpropoxy)propoxy]butane
CID 171414218
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
N,3-diethyl-5-(2-methylpropoxy)pentan-2-amine
CID 106454434
3,4-dimethyl-1-(2-methylpropoxy)pentane;4-methyl-1-(2-methylpropoxy)pentane
CID 159973064
5-methyl-1-(2-methylpropoxy)hexan-3-amine
CID 106459216
1-fluoro-3-methyl-2-(2-methylpropoxymethyl)butane
CID 146509043
1-bromo-4-[3-(bromomethyl)-4-methylpentoxy]benzene
CID 66043443

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-4-methyl-1-(2-methylpropoxy)pentane?
The IUPAC name of 3-(bromomethyl)-4-methyl-1-(2-methylpropoxy)pentane (CID 106459621) is 3-(bromomethyl)-4-methyl-1-(2-methylpropoxy)pentane.
What is the SMILES notation for 3-(bromomethyl)-4-methyl-1-(2-methylpropoxy)pentane?
The canonical SMILES for 3-(bromomethyl)-4-methyl-1-(2-methylpropoxy)pentane is CC(C)COCCC(CBr)C(C)C.
What is the InChIKey of 3-(bromomethyl)-4-methyl-1-(2-methylpropoxy)pentane?
The InChIKey is FMCJWOLWDSRLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BrO/c1-9(2)8-13-6-5-11(7-12)10(3)4/h9-11H,5-8H2,1-4H3.
What are the key properties of 3-(bromomethyl)-4-methyl-1-(2-methylpropoxy)pentane?
3-(bromomethyl)-4-methyl-1-(2-methylpropoxy)pentane has a molecular weight of 251.21 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-4-methyl-1-(2-methylpropoxy)pentane is sourced from PubChem (CID 106459621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).