2-(3-bromopropoxy)-2-methylpropane

C7H15BrO — CID 12710712

IUPAC2-(3-bromopropoxy)-2-methylpropane
SMILESCC(C)(C)OCCCBr
InChIInChI=1S/C7H15BrO/c1-7(2,3)9-6-4-5-8/h4-6H2,1-3H3
InChIKeyZEABOJSSUMGQAH-UHFFFAOYSA-N
MW195.10 g/mol
LogP2.59
Rot. Bonds3

About 2-(3-bromopropoxy)-2-methylpropane

2-(3-bromopropoxy)-2-methylpropane (PubChem CID 12710712) has the molecular formula C7H15BrO and a molecular weight of 195.10 g/mol. Its IUPAC name is 2-(3-bromopropoxy)-2-methylpropane.

Molecular Properties

Compound Name2-(3-bromopropoxy)-2-methylpropane
PubChem CID12710712
Molecular FormulaC7H15BrO
Molecular Weight195.10 g/mol
Exact Mass194.03
IUPAC Name2-(3-bromopropoxy)-2-methylpropane
SMILESCC(C)(C)OCCCBr
InChIInChI=1S/C7H15BrO/c1-7(2,3)9-6-4-5-8/h4-6H2,1-3H3
InChIKeyZEABOJSSUMGQAH-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopropoxy)-2-methylpropane?
The IUPAC name of 2-(3-bromopropoxy)-2-methylpropane (CID 12710712) is 2-(3-bromopropoxy)-2-methylpropane.
What is the SMILES notation for 2-(3-bromopropoxy)-2-methylpropane?
The canonical SMILES for 2-(3-bromopropoxy)-2-methylpropane is CC(C)(C)OCCCBr.
What is the InChIKey of 2-(3-bromopropoxy)-2-methylpropane?
The InChIKey is ZEABOJSSUMGQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BrO/c1-7(2,3)9-6-4-5-8/h4-6H2,1-3H3.
What are the key properties of 2-(3-bromopropoxy)-2-methylpropane?
2-(3-bromopropoxy)-2-methylpropane has a molecular weight of 195.10 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopropoxy)-2-methylpropane is sourced from PubChem (CID 12710712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).