1-bromo-2-methoxyethane;1-bromopropane;iodomethane;methane

C8H21Br2IO — CID 159691608

IUPAC1-bromo-2-methoxyethane;1-bromopropane;iodomethane;methane
SMILESC.CCCBr.CI.COCCBr
InChIInChI=1S/C3H7BrO.C3H7Br.CH3I.CH4/c1-5-3-2-4;1-2-3-4;1-2;/h2-3H2,1H3;2-3H2,1H3;1H3;1H4
InChIKeyMWMHKNIFZRSKLB-UHFFFAOYSA-N
MW419.97 g/mol
LogP4.51
Rot. Bonds3

About 1-bromo-2-methoxyethane;1-bromopropane;iodomethane;methane

1-bromo-2-methoxyethane;1-bromopropane;iodomethane;methane (PubChem CID 159691608) has the molecular formula C8H21Br2IO and a molecular weight of 419.97 g/mol. Its IUPAC name is 1-bromo-2-methoxyethane;1-bromopropane;iodomethane;methane.

Molecular Properties

Compound Name1-bromo-2-methoxyethane;1-bromopropane;iodomethane;methane
PubChem CID159691608
Molecular FormulaC8H21Br2IO
Molecular Weight419.97 g/mol
Exact Mass417.90
IUPAC Name1-bromo-2-methoxyethane;1-bromopropane;iodomethane;methane
SMILESC.CCCBr.CI.COCCBr
InChIInChI=1S/C3H7BrO.C3H7Br.CH3I.CH4/c1-5-3-2-4;1-2-3-4;1-2;/h2-3H2,1H3;2-3H2,1H3;1H3;1H4
InChIKeyMWMHKNIFZRSKLB-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.97
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methoxyethane;1-bromopropane;iodomethane;methane?
The IUPAC name of 1-bromo-2-methoxyethane;1-bromopropane;iodomethane;methane (CID 159691608) is 1-bromo-2-methoxyethane;1-bromopropane;iodomethane;methane.
What is the SMILES notation for 1-bromo-2-methoxyethane;1-bromopropane;iodomethane;methane?
The canonical SMILES for 1-bromo-2-methoxyethane;1-bromopropane;iodomethane;methane is C.CCCBr.CI.COCCBr.
What is the InChIKey of 1-bromo-2-methoxyethane;1-bromopropane;iodomethane;methane?
The InChIKey is MWMHKNIFZRSKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7BrO.C3H7Br.CH3I.CH4/c1-5-3-2-4;1-2-3-4;1-2;/h2-3H2,1H3;2-3H2,1H3;1H3;1H4.
What are the key properties of 1-bromo-2-methoxyethane;1-bromopropane;iodomethane;methane?
1-bromo-2-methoxyethane;1-bromopropane;iodomethane;methane has a molecular weight of 419.97 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-methoxyethane;1-bromopropane;iodomethane;methane is sourced from PubChem (CID 159691608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).