1-bromo-2-(2-ethoxyethoxymethyl)butane

C9H19BrO2 — CID 64995451

IUPAC1-bromo-2-(2-ethoxyethoxymethyl)butane
SMILESCCOCCOCC(CC)CBr
InChIInChI=1S/C9H19BrO2/c1-3-9(7-10)8-12-6-5-11-4-2/h9H,3-8H2,1-2H3
InChIKeyJVBASXGDZZFHPD-UHFFFAOYSA-N
MW239.15 g/mol
LogP2.46
Rot. Bonds8

About 1-bromo-2-(2-ethoxyethoxymethyl)butane

1-bromo-2-(2-ethoxyethoxymethyl)butane (PubChem CID 64995451) has the molecular formula C9H19BrO2 and a molecular weight of 239.15 g/mol. Its IUPAC name is 1-bromo-2-(2-ethoxyethoxymethyl)butane.

Molecular Properties

Compound Name1-bromo-2-(2-ethoxyethoxymethyl)butane
PubChem CID64995451
Molecular FormulaC9H19BrO2
Molecular Weight239.15 g/mol
Exact Mass238.06
IUPAC Name1-bromo-2-(2-ethoxyethoxymethyl)butane
SMILESCCOCCOCC(CC)CBr
InChIInChI=1S/C9H19BrO2/c1-3-9(7-10)8-12-6-5-11-4-2/h9H,3-8H2,1-2H3
InChIKeyJVBASXGDZZFHPD-UHFFFAOYSA-N
XLogP2.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-bromo-2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]butane
CID 104561219
2-[2-(bromomethyl)butoxy]ethylcyclopropane
CID 106201198
1-bromo-2-(2,2-difluoroethoxymethyl)butane
CID 82004964
1-[2-(2-ethoxyethoxy)ethoxy]-3-ethylpentane
CID 54377371
1-bromo-2-(2-methoxyethoxymethyl)pentane
CID 65011102
1,2-bis[2-(2-ethoxyethoxy)ethoxy]butane
CID 121246575
2-(bromomethyl)butoxymethylcyclohexane
CID 64995107
1,2-diethoxyethane;hydrofluoride
CID 175535770
2-(2-ethylbutoxy)ethanamine
CID 82929181
2-ethoxy-N-[2-(2-ethylhexoxy)ethyl]ethanamine
CID 62597434
1-[2-(bromomethyl)butoxy]-2-propoxybenzene
CID 64995150
1-bromo-2-(2-methylbutan-2-yloxymethyl)butane
CID 64994805

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2-ethoxyethoxymethyl)butane?
The IUPAC name of 1-bromo-2-(2-ethoxyethoxymethyl)butane (CID 64995451) is 1-bromo-2-(2-ethoxyethoxymethyl)butane.
What is the SMILES notation for 1-bromo-2-(2-ethoxyethoxymethyl)butane?
The canonical SMILES for 1-bromo-2-(2-ethoxyethoxymethyl)butane is CCOCCOCC(CC)CBr.
What is the InChIKey of 1-bromo-2-(2-ethoxyethoxymethyl)butane?
The InChIKey is JVBASXGDZZFHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BrO2/c1-3-9(7-10)8-12-6-5-11-4-2/h9H,3-8H2,1-2H3.
What are the key properties of 1-bromo-2-(2-ethoxyethoxymethyl)butane?
1-bromo-2-(2-ethoxyethoxymethyl)butane has a molecular weight of 239.15 g/mol, XLogP of 2.46, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2-ethoxyethoxymethyl)butane is sourced from PubChem (CID 64995451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).