1-bromo-2-methyl-2-propan-2-yloxypropane

C7H15BrO — CID 18966838

IUPAC1-bromo-2-methyl-2-propan-2-yloxypropane
SMILESCC(C)OC(C)(C)CBr
InChIInChI=1S/C7H15BrO/c1-6(2)9-7(3,4)5-8/h6H,5H2,1-4H3
InChIKeyPGUAOIBZVKHHJW-UHFFFAOYSA-N
MW195.10 g/mol
LogP2.58
Rot. Bonds3

About 1-bromo-2-methyl-2-propan-2-yloxypropane

1-bromo-2-methyl-2-propan-2-yloxypropane (PubChem CID 18966838) has the molecular formula C7H15BrO and a molecular weight of 195.10 g/mol. Its IUPAC name is 1-bromo-2-methyl-2-propan-2-yloxypropane.

Molecular Properties

Compound Name1-bromo-2-methyl-2-propan-2-yloxypropane
PubChem CID18966838
Molecular FormulaC7H15BrO
Molecular Weight195.10 g/mol
Exact Mass194.03
IUPAC Name1-bromo-2-methyl-2-propan-2-yloxypropane
SMILESCC(C)OC(C)(C)CBr
InChIInChI=1S/C7H15BrO/c1-6(2)9-7(3,4)5-8/h6H,5H2,1-4H3
InChIKeyPGUAOIBZVKHHJW-UHFFFAOYSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.10
LogP ≤ 52.58
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-bromo-2-methyl-2-propan-2-yloxypropane?
The IUPAC name of 1-bromo-2-methyl-2-propan-2-yloxypropane (CID 18966838) is 1-bromo-2-methyl-2-propan-2-yloxypropane.
What is the SMILES notation for 1-bromo-2-methyl-2-propan-2-yloxypropane?
The canonical SMILES for 1-bromo-2-methyl-2-propan-2-yloxypropane is CC(C)OC(C)(C)CBr.
What is the InChIKey of 1-bromo-2-methyl-2-propan-2-yloxypropane?
The InChIKey is PGUAOIBZVKHHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BrO/c1-6(2)9-7(3,4)5-8/h6H,5H2,1-4H3.
What are the key properties of 1-bromo-2-methyl-2-propan-2-yloxypropane?
1-bromo-2-methyl-2-propan-2-yloxypropane has a molecular weight of 195.10 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-methyl-2-propan-2-yloxypropane is sourced from PubChem (CID 18966838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).