1,1-dibromo-2,2-diethyl-3-methylcyclopropane

C8H14Br2 — CID 121274115

IUPAC1,1-dibromo-2,2-diethyl-3-methylcyclopropane
SMILESCCC1(CC)C(C)C1(Br)Br
InChIInChI=1S/C8H14Br2/c1-4-7(5-2)6(3)8(7,9)10/h6H,4-5H2,1-3H3
InChIKeyIUUPJSBKYPCYGS-UHFFFAOYSA-N
MW270.01 g/mol
LogP3.93
Rot. Bonds2

About 1,1-dibromo-2,2-diethyl-3-methylcyclopropane

1,1-dibromo-2,2-diethyl-3-methylcyclopropane (PubChem CID 121274115) has the molecular formula C8H14Br2 and a molecular weight of 270.01 g/mol. Its IUPAC name is 1,1-dibromo-2,2-diethyl-3-methylcyclopropane.

Molecular Properties

Compound Name1,1-dibromo-2,2-diethyl-3-methylcyclopropane
PubChem CID121274115
Molecular FormulaC8H14Br2
Molecular Weight270.01 g/mol
Exact Mass267.95
IUPAC Name1,1-dibromo-2,2-diethyl-3-methylcyclopropane
SMILESCCC1(CC)C(C)C1(Br)Br
InChIInChI=1S/C8H14Br2/c1-4-7(5-2)6(3)8(7,9)10/h6H,4-5H2,1-3H3
InChIKeyIUUPJSBKYPCYGS-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.01
LogP ≤ 53.93
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 1,1-dibromo-2,2-diethyl-3-methylcyclopropane?
The IUPAC name of 1,1-dibromo-2,2-diethyl-3-methylcyclopropane (CID 121274115) is 1,1-dibromo-2,2-diethyl-3-methylcyclopropane.
What is the SMILES notation for 1,1-dibromo-2,2-diethyl-3-methylcyclopropane?
The canonical SMILES for 1,1-dibromo-2,2-diethyl-3-methylcyclopropane is CCC1(CC)C(C)C1(Br)Br.
What is the InChIKey of 1,1-dibromo-2,2-diethyl-3-methylcyclopropane?
The InChIKey is IUUPJSBKYPCYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Br2/c1-4-7(5-2)6(3)8(7,9)10/h6H,4-5H2,1-3H3.
What are the key properties of 1,1-dibromo-2,2-diethyl-3-methylcyclopropane?
1,1-dibromo-2,2-diethyl-3-methylcyclopropane has a molecular weight of 270.01 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-2,2-diethyl-3-methylcyclopropane is sourced from PubChem (CID 121274115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).