2-bromo-1,4-dichloro-3-[2-(2-methylpropoxy)ethoxy]butane

C10H19BrCl2O2 — CID 106449019

IUPAC2-bromo-1,4-dichloro-3-[2-(2-methylpropoxy)ethoxy]butane
SMILESCC(C)COCCOC(CCl)C(Br)CCl
InChIInChI=1S/C10H19BrCl2O2/c1-8(2)7-14-3-4-15-10(6-13)9(11)5-12/h8-10H,3-7H2,1-2H3
InChIKeyIGDMVKQBKHUVJP-UHFFFAOYSA-N
MW322.07 g/mol
LogP3.29
Rot. Bonds9

About 2-bromo-1,4-dichloro-3-[2-(2-methylpropoxy)ethoxy]butane

2-bromo-1,4-dichloro-3-[2-(2-methylpropoxy)ethoxy]butane (PubChem CID 106449019) has the molecular formula C10H19BrCl2O2 and a molecular weight of 322.07 g/mol. Its IUPAC name is 2-bromo-1,4-dichloro-3-[2-(2-methylpropoxy)ethoxy]butane.

Molecular Properties

Compound Name2-bromo-1,4-dichloro-3-[2-(2-methylpropoxy)ethoxy]butane
PubChem CID106449019
Molecular FormulaC10H19BrCl2O2
Molecular Weight322.07 g/mol
Exact Mass319.99
IUPAC Name2-bromo-1,4-dichloro-3-[2-(2-methylpropoxy)ethoxy]butane
SMILESCC(C)COCCOC(CCl)C(Br)CCl
InChIInChI=1S/C10H19BrCl2O2/c1-8(2)7-14-3-4-15-10(6-13)9(11)5-12/h8-10H,3-7H2,1-2H3
InChIKeyIGDMVKQBKHUVJP-UHFFFAOYSA-N
XLogP3.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.07
LogP ≤ 53.29
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-(3-bromo-1,4-dichlorobutan-2-yl)oxy-4-methylpentane
CID 114773446
2-bromo-1,4-dichloro-3-propoxybutane
CID 114772037
N-ethyl-3-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine
CID 106450140
3-amino-4,4-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pentan-1-ol
CID 106447308
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
2-methyl-1-[1-[2-[2-(2-methylpropoxy)propoxy]ethoxy]propan-2-yloxy]propane
CID 58121620
3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane
CID 90326526
(2S)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine
CID 106447202
1-[2-(2-methylpropoxy)ethoxy]butan-2-ol
CID 106448685
N-ethyl-3-[2-(2-methylpropoxy)ethoxy]heptan-4-amine
CID 106447191
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428225
N-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine
CID 106449827

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,4-dichloro-3-[2-(2-methylpropoxy)ethoxy]butane?
The IUPAC name of 2-bromo-1,4-dichloro-3-[2-(2-methylpropoxy)ethoxy]butane (CID 106449019) is 2-bromo-1,4-dichloro-3-[2-(2-methylpropoxy)ethoxy]butane.
What is the SMILES notation for 2-bromo-1,4-dichloro-3-[2-(2-methylpropoxy)ethoxy]butane?
The canonical SMILES for 2-bromo-1,4-dichloro-3-[2-(2-methylpropoxy)ethoxy]butane is CC(C)COCCOC(CCl)C(Br)CCl.
What is the InChIKey of 2-bromo-1,4-dichloro-3-[2-(2-methylpropoxy)ethoxy]butane?
The InChIKey is IGDMVKQBKHUVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrCl2O2/c1-8(2)7-14-3-4-15-10(6-13)9(11)5-12/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-bromo-1,4-dichloro-3-[2-(2-methylpropoxy)ethoxy]butane?
2-bromo-1,4-dichloro-3-[2-(2-methylpropoxy)ethoxy]butane has a molecular weight of 322.07 g/mol, XLogP of 3.29, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,4-dichloro-3-[2-(2-methylpropoxy)ethoxy]butane is sourced from PubChem (CID 106449019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).