3-bromo-1,1,2,2-tetramethylcyclopropane

C7H13Br — CID 10021572

IUPAC3-bromo-1,1,2,2-tetramethylcyclopropane
SMILESCC1(C)C(Br)C1(C)C
InChIInChI=1S/C7H13Br/c1-6(2)5(8)7(6,3)4/h5H,1-4H3
InChIKeyMVAYPRUMDAKCHH-UHFFFAOYSA-N
MW177.08 g/mol
LogP2.82
Rot. Bonds

About 3-bromo-1,1,2,2-tetramethylcyclopropane

3-bromo-1,1,2,2-tetramethylcyclopropane (PubChem CID 10021572) has the molecular formula C7H13Br and a molecular weight of 177.08 g/mol. Its IUPAC name is 3-bromo-1,1,2,2-tetramethylcyclopropane.

Molecular Properties

Compound Name3-bromo-1,1,2,2-tetramethylcyclopropane
PubChem CID10021572
Molecular FormulaC7H13Br
Molecular Weight177.08 g/mol
Exact Mass176.02
IUPAC Name3-bromo-1,1,2,2-tetramethylcyclopropane
SMILESCC1(C)C(Br)C1(C)C
InChIInChI=1S/C7H13Br/c1-6(2)5(8)7(6,3)4/h5H,1-4H3
InChIKeyMVAYPRUMDAKCHH-UHFFFAOYSA-N
XLogP2.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.08
LogP ≤ 52.82
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 3-bromo-1,1,2,2-tetramethylcyclopropane?
The IUPAC name of 3-bromo-1,1,2,2-tetramethylcyclopropane (CID 10021572) is 3-bromo-1,1,2,2-tetramethylcyclopropane.
What is the SMILES notation for 3-bromo-1,1,2,2-tetramethylcyclopropane?
The canonical SMILES for 3-bromo-1,1,2,2-tetramethylcyclopropane is CC1(C)C(Br)C1(C)C.
What is the InChIKey of 3-bromo-1,1,2,2-tetramethylcyclopropane?
The InChIKey is MVAYPRUMDAKCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Br/c1-6(2)5(8)7(6,3)4/h5H,1-4H3.
What are the key properties of 3-bromo-1,1,2,2-tetramethylcyclopropane?
3-bromo-1,1,2,2-tetramethylcyclopropane has a molecular weight of 177.08 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1,1,2,2-tetramethylcyclopropane is sourced from PubChem (CID 10021572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).