2-(bromomethyl)-1-methyl-1-(1-methylcyclopropyl)cyclopropane

C9H15Br — CID 81351050

IUPAC2-(bromomethyl)-1-methyl-1-(1-methylcyclopropyl)cyclopropane
SMILESCC1(C2(C)CC2CBr)CC1
InChIInChI=1S/C9H15Br/c1-8(3-4-8)9(2)5-7(9)6-10/h7H,3-6H2,1-2H3
InChIKeyVBTUNCWDAURTGG-UHFFFAOYSA-N
MW203.12 g/mol
LogP3.21
Rot. Bonds2

About 2-(bromomethyl)-1-methyl-1-(1-methylcyclopropyl)cyclopropane

2-(bromomethyl)-1-methyl-1-(1-methylcyclopropyl)cyclopropane (PubChem CID 81351050) has the molecular formula C9H15Br and a molecular weight of 203.12 g/mol. Its IUPAC name is 2-(bromomethyl)-1-methyl-1-(1-methylcyclopropyl)cyclopropane.

Molecular Properties

Compound Name2-(bromomethyl)-1-methyl-1-(1-methylcyclopropyl)cyclopropane
PubChem CID81351050
Molecular FormulaC9H15Br
Molecular Weight203.12 g/mol
Exact Mass202.04
IUPAC Name2-(bromomethyl)-1-methyl-1-(1-methylcyclopropyl)cyclopropane
SMILESCC1(C2(C)CC2CBr)CC1
InChIInChI=1S/C9H15Br/c1-8(3-4-8)9(2)5-7(9)6-10/h7H,3-6H2,1-2H3
InChIKeyVBTUNCWDAURTGG-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 53.21
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-(bromomethyl)-1-methyl-1-(1-methylcyclopropyl)cyclopropane?
The IUPAC name of 2-(bromomethyl)-1-methyl-1-(1-methylcyclopropyl)cyclopropane (CID 81351050) is 2-(bromomethyl)-1-methyl-1-(1-methylcyclopropyl)cyclopropane.
What is the SMILES notation for 2-(bromomethyl)-1-methyl-1-(1-methylcyclopropyl)cyclopropane?
The canonical SMILES for 2-(bromomethyl)-1-methyl-1-(1-methylcyclopropyl)cyclopropane is CC1(C2(C)CC2CBr)CC1.
What is the InChIKey of 2-(bromomethyl)-1-methyl-1-(1-methylcyclopropyl)cyclopropane?
The InChIKey is VBTUNCWDAURTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Br/c1-8(3-4-8)9(2)5-7(9)6-10/h7H,3-6H2,1-2H3.
What are the key properties of 2-(bromomethyl)-1-methyl-1-(1-methylcyclopropyl)cyclopropane?
2-(bromomethyl)-1-methyl-1-(1-methylcyclopropyl)cyclopropane has a molecular weight of 203.12 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-methyl-1-(1-methylcyclopropyl)cyclopropane is sourced from PubChem (CID 81351050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).