1-bromo-3-chloro-2-[2-(3-methoxypropoxy)ethoxy]-2-methylpropane

C10H20BrClO3 — CID 103180266

IUPAC1-bromo-3-chloro-2-[2-(3-methoxypropoxy)ethoxy]-2-methylpropane
SMILESCOCCCOCCOC(C)(CCl)CBr
InChIInChI=1S/C10H20BrClO3/c1-10(8-11,9-12)15-7-6-14-5-3-4-13-2/h3-9H2,1-2H3
InChIKeyYWXKPJXSTVRILM-UHFFFAOYSA-N
MW303.62 g/mol
LogP2.45
Rot. Bonds10

About 1-bromo-3-chloro-2-[2-(3-methoxypropoxy)ethoxy]-2-methylpropane

1-bromo-3-chloro-2-[2-(3-methoxypropoxy)ethoxy]-2-methylpropane (PubChem CID 103180266) has the molecular formula C10H20BrClO3 and a molecular weight of 303.62 g/mol. Its IUPAC name is 1-bromo-3-chloro-2-[2-(3-methoxypropoxy)ethoxy]-2-methylpropane.

Molecular Properties

Compound Name1-bromo-3-chloro-2-[2-(3-methoxypropoxy)ethoxy]-2-methylpropane
PubChem CID103180266
Molecular FormulaC10H20BrClO3
Molecular Weight303.62 g/mol
Exact Mass302.03
IUPAC Name1-bromo-3-chloro-2-[2-(3-methoxypropoxy)ethoxy]-2-methylpropane
SMILESCOCCCOCCOC(C)(CCl)CBr
InChIInChI=1S/C10H20BrClO3/c1-10(8-11,9-12)15-7-6-14-5-3-4-13-2/h3-9H2,1-2H3
InChIKeyYWXKPJXSTVRILM-UHFFFAOYSA-N
XLogP2.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.62
LogP ≤ 52.45
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

1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxy-3,3-dimethylbutane
CID 114774521
1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxyoctane
CID 114773575
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
1,3-bis(3-methoxypropoxy)-2,2-bis(3-methoxypropoxymethyl)propane;ethane;sulfane
CID 153349276
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylpropane
CID 134553507
1-bromo-3-(2-methoxyethoxy)propane
CID 15636133
2-[2-[2-(1-bromo-2-methylpentan-2-yl)oxyethoxy]ethoxy]ethanol
CID 12597907
3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 155650334
2-[2-(3-methoxypropoxy)ethoxy]ethanamine
CID 103175799
1-methoxy-6-(6-methoxyhexoxy)hexane
CID 154493017
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
1-chloro-2-(2-ethoxyethoxy)-3-iodo-2-methylpropane
CID 114772612

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-chloro-2-[2-(3-methoxypropoxy)ethoxy]-2-methylpropane?
The IUPAC name of 1-bromo-3-chloro-2-[2-(3-methoxypropoxy)ethoxy]-2-methylpropane (CID 103180266) is 1-bromo-3-chloro-2-[2-(3-methoxypropoxy)ethoxy]-2-methylpropane.
What is the SMILES notation for 1-bromo-3-chloro-2-[2-(3-methoxypropoxy)ethoxy]-2-methylpropane?
The canonical SMILES for 1-bromo-3-chloro-2-[2-(3-methoxypropoxy)ethoxy]-2-methylpropane is COCCCOCCOC(C)(CCl)CBr.
What is the InChIKey of 1-bromo-3-chloro-2-[2-(3-methoxypropoxy)ethoxy]-2-methylpropane?
The InChIKey is YWXKPJXSTVRILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrClO3/c1-10(8-11,9-12)15-7-6-14-5-3-4-13-2/h3-9H2,1-2H3.
What are the key properties of 1-bromo-3-chloro-2-[2-(3-methoxypropoxy)ethoxy]-2-methylpropane?
1-bromo-3-chloro-2-[2-(3-methoxypropoxy)ethoxy]-2-methylpropane has a molecular weight of 303.62 g/mol, XLogP of 2.45, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chloro-2-[2-(3-methoxypropoxy)ethoxy]-2-methylpropane is sourced from PubChem (CID 103180266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).