1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxy-3,3-dimethylbutane

C10H20BrClO — CID 114774521

IUPAC1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxy-3,3-dimethylbutane
SMILESCC(C)(C)CCOC(C)(CCl)CBr
InChIInChI=1S/C10H20BrClO/c1-9(2,3)5-6-13-10(4,7-11)8-12/h5-8H2,1-4H3
InChIKeyRCHYDWJXMBUHDK-UHFFFAOYSA-N
MW271.63 g/mol
LogP3.83
Rot. Bonds5

About 1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxy-3,3-dimethylbutane

1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxy-3,3-dimethylbutane (PubChem CID 114774521) has the molecular formula C10H20BrClO and a molecular weight of 271.63 g/mol. Its IUPAC name is 1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxy-3,3-dimethylbutane.

Molecular Properties

Compound Name1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxy-3,3-dimethylbutane
PubChem CID114774521
Molecular FormulaC10H20BrClO
Molecular Weight271.63 g/mol
Exact Mass270.04
IUPAC Name1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxy-3,3-dimethylbutane
SMILESCC(C)(C)CCOC(C)(CCl)CBr
InChIInChI=1S/C10H20BrClO/c1-9(2,3)5-6-13-10(4,7-11)8-12/h5-8H2,1-4H3
InChIKeyRCHYDWJXMBUHDK-UHFFFAOYSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.63
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxy-3,3-dimethylbutane?
The IUPAC name of 1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxy-3,3-dimethylbutane (CID 114774521) is 1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxy-3,3-dimethylbutane.
What is the SMILES notation for 1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxy-3,3-dimethylbutane?
The canonical SMILES for 1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxy-3,3-dimethylbutane is CC(C)(C)CCOC(C)(CCl)CBr.
What is the InChIKey of 1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxy-3,3-dimethylbutane?
The InChIKey is RCHYDWJXMBUHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrClO/c1-9(2,3)5-6-13-10(4,7-11)8-12/h5-8H2,1-4H3.
What are the key properties of 1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxy-3,3-dimethylbutane?
1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxy-3,3-dimethylbutane has a molecular weight of 271.63 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxy-3,3-dimethylbutane is sourced from PubChem (CID 114774521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).