1,1-dibromo-2-methylcyclobutane

C5H8Br2 — CID 118387031

IUPAC1,1-dibromo-2-methylcyclobutane
SMILESCC1CCC1(Br)Br
InChIInChI=1S/C5H8Br2/c1-4-2-3-5(4,6)7/h4H,2-3H2,1H3
InChIKeyOGUBBELYLPWMMW-UHFFFAOYSA-N
MW227.93 g/mol
LogP2.90
Rot. Bonds

About 1,1-dibromo-2-methylcyclobutane

1,1-dibromo-2-methylcyclobutane (PubChem CID 118387031) has the molecular formula C5H8Br2 and a molecular weight of 227.93 g/mol. Its IUPAC name is 1,1-dibromo-2-methylcyclobutane.

Molecular Properties

Compound Name1,1-dibromo-2-methylcyclobutane
PubChem CID118387031
Molecular FormulaC5H8Br2
Molecular Weight227.93 g/mol
Exact Mass225.90
IUPAC Name1,1-dibromo-2-methylcyclobutane
SMILESCC1CCC1(Br)Br
InChIInChI=1S/C5H8Br2/c1-4-2-3-5(4,6)7/h4H,2-3H2,1H3
InChIKeyOGUBBELYLPWMMW-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.93
LogP ≤ 52.90
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-methylcyclobutane?
The IUPAC name of 1,1-dibromo-2-methylcyclobutane (CID 118387031) is 1,1-dibromo-2-methylcyclobutane.
What is the SMILES notation for 1,1-dibromo-2-methylcyclobutane?
The canonical SMILES for 1,1-dibromo-2-methylcyclobutane is CC1CCC1(Br)Br.
What is the InChIKey of 1,1-dibromo-2-methylcyclobutane?
The InChIKey is OGUBBELYLPWMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Br2/c1-4-2-3-5(4,6)7/h4H,2-3H2,1H3.
What are the key properties of 1,1-dibromo-2-methylcyclobutane?
1,1-dibromo-2-methylcyclobutane has a molecular weight of 227.93 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-2-methylcyclobutane is sourced from PubChem (CID 118387031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).