1-bromo-2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]butane

C15H31BrO4 — CID 104561219

IUPAC1-bromo-2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]butane
SMILESCCCCOCCOCCOCCOCC(CC)CBr
InChIInChI=1S/C15H31BrO4/c1-3-5-6-17-7-8-18-9-10-19-11-12-20-14-15(4-2)13-16/h15H,3-14H2,1-2H3
InChIKeyFDOSKZPKUWAEBB-UHFFFAOYSA-N
MW355.31 g/mol
LogP3.27
Rot. Bonds16

About 1-bromo-2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]butane

1-bromo-2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]butane (PubChem CID 104561219) has the molecular formula C15H31BrO4 and a molecular weight of 355.31 g/mol. Its IUPAC name is 1-bromo-2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]butane.

Molecular Properties

Compound Name1-bromo-2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]butane
PubChem CID104561219
Molecular FormulaC15H31BrO4
Molecular Weight355.31 g/mol
Exact Mass354.14
IUPAC Name1-bromo-2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]butane
SMILESCCCCOCCOCCOCCOCC(CC)CBr
InChIInChI=1S/C15H31BrO4/c1-3-5-6-17-7-8-18-9-10-19-11-12-20-14-15(4-2)13-16/h15H,3-14H2,1-2H3
InChIKeyFDOSKZPKUWAEBB-UHFFFAOYSA-N
XLogP3.27
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-ethoxyethoxymethyl)butane
CID 64995451
2-(butoxymethyl)butan-1-ol
CID 20660357
1-[4-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]butoxy]dodecane
CID 129302674
1-(2-ethylbutoxy)decane
CID 22002893
2-[2-(bromomethyl)butoxy]ethylcyclopropane
CID 106201198
1-(2-butoxyethoxy)-2-(2-butoxyethoxymethyl)-3-[2-(3-tritiopropoxy)ethoxy]propane
CID 118966877
decane;ethane;1-(2-ethyloctoxy)tetradecane
CID 155743358
3-[2-(4-chlorobutoxy)ethoxymethyl]heptane
CID 129278916
ethane;1-(2-propoxyethoxy)butane
CID 164535746
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
2-[2-(2-butoxyethoxy)ethoxy]ethane-1,1-diamine
CID 22901827
3-[2-(2-chloroethoxy)ethoxymethyl]heptane
CID 63664806

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]butane?
The IUPAC name of 1-bromo-2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]butane (CID 104561219) is 1-bromo-2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]butane.
What is the SMILES notation for 1-bromo-2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]butane?
The canonical SMILES for 1-bromo-2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]butane is CCCCOCCOCCOCCOCC(CC)CBr.
What is the InChIKey of 1-bromo-2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]butane?
The InChIKey is FDOSKZPKUWAEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31BrO4/c1-3-5-6-17-7-8-18-9-10-19-11-12-20-14-15(4-2)13-16/h15H,3-14H2,1-2H3.
What are the key properties of 1-bromo-2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]butane?
1-bromo-2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]butane has a molecular weight of 355.31 g/mol, XLogP of 3.27, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]butane is sourced from PubChem (CID 104561219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).