2-bromo-1,1,3-trimethylcyclopropane

C6H11Br — CID 557845

IUPAC2-bromo-1,1,3-trimethylcyclopropane
SMILESCC1C(Br)C1(C)C
InChIInChI=1S/C6H11Br/c1-4-5(7)6(4,2)3/h4-5H,1-3H3
InChIKeySYYSPTZPJSFOQY-UHFFFAOYSA-N
MW163.06 g/mol
LogP2.43
Rot. Bonds

About 2-bromo-1,1,3-trimethylcyclopropane

2-bromo-1,1,3-trimethylcyclopropane (PubChem CID 557845) has the molecular formula C6H11Br and a molecular weight of 163.06 g/mol. Its IUPAC name is 2-bromo-1,1,3-trimethylcyclopropane.

Molecular Properties

Compound Name2-bromo-1,1,3-trimethylcyclopropane
PubChem CID557845
Molecular FormulaC6H11Br
Molecular Weight163.06 g/mol
Exact Mass162.00
IUPAC Name2-bromo-1,1,3-trimethylcyclopropane
SMILESCC1C(Br)C1(C)C
InChIInChI=1S/C6H11Br/c1-4-5(7)6(4,2)3/h4-5H,1-3H3
InChIKeySYYSPTZPJSFOQY-UHFFFAOYSA-N
XLogP2.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.06
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 2-bromo-1,1,3-trimethylcyclopropane?
The IUPAC name of 2-bromo-1,1,3-trimethylcyclopropane (CID 557845) is 2-bromo-1,1,3-trimethylcyclopropane.
What is the SMILES notation for 2-bromo-1,1,3-trimethylcyclopropane?
The canonical SMILES for 2-bromo-1,1,3-trimethylcyclopropane is CC1C(Br)C1(C)C.
What is the InChIKey of 2-bromo-1,1,3-trimethylcyclopropane?
The InChIKey is SYYSPTZPJSFOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Br/c1-4-5(7)6(4,2)3/h4-5H,1-3H3.
What are the key properties of 2-bromo-1,1,3-trimethylcyclopropane?
2-bromo-1,1,3-trimethylcyclopropane has a molecular weight of 163.06 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,1,3-trimethylcyclopropane is sourced from PubChem (CID 557845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).