3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethoxy]-4-methylpentane

C12H25BrO3 — CID 104568738

IUPAC3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethoxy]-4-methylpentane
SMILESCOCCOCCOCCC(CBr)C(C)C
InChIInChI=1S/C12H25BrO3/c1-11(2)12(10-13)4-5-15-8-9-16-7-6-14-3/h11-12H,4-10H2,1-3H3
InChIKeyFIOOPJSXQSVZED-UHFFFAOYSA-N
MW297.23 g/mol
LogP2.72
Rot. Bonds11

About 3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethoxy]-4-methylpentane

3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethoxy]-4-methylpentane (PubChem CID 104568738) has the molecular formula C12H25BrO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is 3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethoxy]-4-methylpentane.

Molecular Properties

Compound Name3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethoxy]-4-methylpentane
PubChem CID104568738
Molecular FormulaC12H25BrO3
Molecular Weight297.23 g/mol
Exact Mass296.10
IUPAC Name3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethoxy]-4-methylpentane
SMILESCOCCOCCOCCC(CBr)C(C)C
InChIInChI=1S/C12H25BrO3/c1-11(2)12(10-13)4-5-15-8-9-16-7-6-14-3/h11-12H,4-10H2,1-3H3
InChIKeyFIOOPJSXQSVZED-UHFFFAOYSA-N
XLogP2.72
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(bromomethyl)-4-methyl-1-(2-methylpropoxy)pentane
CID 106459621
1-bromo-5-[2-(2-methoxyethoxy)ethoxy]-3-methylpentane
CID 104561196
3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-N-methylpentan-2-amine
CID 104564561
1-(2-methoxyethoxy)-3,4,4-trimethylpentane
CID 157211030
2-(bromomethyl)-4-[2-(2-methoxyethoxy)ethoxy]butanenitrile
CID 104567054
4-(2-methoxyethoxy)butan-2-ol
CID 21045149
5-(2-methoxyethoxy)-2-propan-2-ylpentan-1-amine
CID 103412271
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
2-(2-methoxyethoxy)ethyl-trimethylphosphanium
CID 88850775
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylpentane
CID 126547555

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethoxy]-4-methylpentane?
The IUPAC name of 3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethoxy]-4-methylpentane (CID 104568738) is 3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethoxy]-4-methylpentane.
What is the SMILES notation for 3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethoxy]-4-methylpentane?
The canonical SMILES for 3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethoxy]-4-methylpentane is COCCOCCOCCC(CBr)C(C)C.
What is the InChIKey of 3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethoxy]-4-methylpentane?
The InChIKey is FIOOPJSXQSVZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25BrO3/c1-11(2)12(10-13)4-5-15-8-9-16-7-6-14-3/h11-12H,4-10H2,1-3H3.
What are the key properties of 3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethoxy]-4-methylpentane?
3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethoxy]-4-methylpentane has a molecular weight of 297.23 g/mol, XLogP of 2.72, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethoxy]-4-methylpentane is sourced from PubChem (CID 104568738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).