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

C11H21Br — CID 165445765

IUPAC1-(bromomethyl)-2-methyl-1-(2-methylpentyl)cyclopropane
SMILESCCCC(C)CC1(CBr)CC1C
InChIInChI=1S/C11H21Br/c1-4-5-9(2)6-11(8-12)7-10(11)3/h9-10H,4-8H2,1-3H3
InChIKeyJERJCXHJOJNHFH-UHFFFAOYSA-N
MW233.19 g/mol
LogP4.23
Rot. Bonds5

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

1-(bromomethyl)-2-methyl-1-(2-methylpentyl)cyclopropane (PubChem CID 165445765) has the molecular formula C11H21Br and a molecular weight of 233.19 g/mol. Its IUPAC name is 1-(bromomethyl)-2-methyl-1-(2-methylpentyl)cyclopropane.

Molecular Properties

Compound Name1-(bromomethyl)-2-methyl-1-(2-methylpentyl)cyclopropane
PubChem CID165445765
Molecular FormulaC11H21Br
Molecular Weight233.19 g/mol
Exact Mass232.08
IUPAC Name1-(bromomethyl)-2-methyl-1-(2-methylpentyl)cyclopropane
SMILESCCCC(C)CC1(CBr)CC1C
InChIInChI=1S/C11H21Br/c1-4-5-9(2)6-11(8-12)7-10(11)3/h9-10H,4-8H2,1-3H3
InChIKeyJERJCXHJOJNHFH-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 54.23
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-(bromomethyl)-2-methyl-1-(2-methylpentyl)cyclopropane?
The IUPAC name of 1-(bromomethyl)-2-methyl-1-(2-methylpentyl)cyclopropane (CID 165445765) is 1-(bromomethyl)-2-methyl-1-(2-methylpentyl)cyclopropane.
What is the SMILES notation for 1-(bromomethyl)-2-methyl-1-(2-methylpentyl)cyclopropane?
The canonical SMILES for 1-(bromomethyl)-2-methyl-1-(2-methylpentyl)cyclopropane is CCCC(C)CC1(CBr)CC1C.
What is the InChIKey of 1-(bromomethyl)-2-methyl-1-(2-methylpentyl)cyclopropane?
The InChIKey is JERJCXHJOJNHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Br/c1-4-5-9(2)6-11(8-12)7-10(11)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-(bromomethyl)-2-methyl-1-(2-methylpentyl)cyclopropane?
1-(bromomethyl)-2-methyl-1-(2-methylpentyl)cyclopropane has a molecular weight of 233.19 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-methyl-1-(2-methylpentyl)cyclopropane is sourced from PubChem (CID 165445765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).