1-(bromomethyl)-2,2-dimethyl-1-(2-methylbutyl)cyclopropane

C11H21Br — CID 165442992

IUPAC1-(bromomethyl)-2,2-dimethyl-1-(2-methylbutyl)cyclopropane
SMILESCCC(C)CC1(CBr)CC1(C)C
InChIInChI=1S/C11H21Br/c1-5-9(2)6-11(8-12)7-10(11,3)4/h9H,5-8H2,1-4H3
InChIKeyCJROLQQLKVIGEE-UHFFFAOYSA-N
MW233.19 g/mol
LogP4.23
Rot. Bonds4

About 1-(bromomethyl)-2,2-dimethyl-1-(2-methylbutyl)cyclopropane

1-(bromomethyl)-2,2-dimethyl-1-(2-methylbutyl)cyclopropane (PubChem CID 165442992) has the molecular formula C11H21Br and a molecular weight of 233.19 g/mol. Its IUPAC name is 1-(bromomethyl)-2,2-dimethyl-1-(2-methylbutyl)cyclopropane.

Molecular Properties

Compound Name1-(bromomethyl)-2,2-dimethyl-1-(2-methylbutyl)cyclopropane
PubChem CID165442992
Molecular FormulaC11H21Br
Molecular Weight233.19 g/mol
Exact Mass232.08
IUPAC Name1-(bromomethyl)-2,2-dimethyl-1-(2-methylbutyl)cyclopropane
SMILESCCC(C)CC1(CBr)CC1(C)C
InChIInChI=1S/C11H21Br/c1-5-9(2)6-11(8-12)7-10(11,3)4/h9H,5-8H2,1-4H3
InChIKeyCJROLQQLKVIGEE-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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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Related Compounds

1-(Bromomethyl)-4-tert-butylcyclohexane
CID 13175542
2-(Bromomethyl)-1,1-dimethylcyclohexane
CID 79853297
5-(Bromomethyl)-2,2,4,8,10,10-hexamethylundecane
CID 85788835
4-(2-Bromoethyl)spiro[2.4]heptane
CID 154809650
6-(2-Bromoethyl)spiro[2.5]octane
CID 155820887
1-(5-Bromopentyl)-2-methylcyclopropane
CID 155822181
4-(2-Bromoethyl)spiro[2.5]octane
CID 155822592
3-(2-Bromoethyl)-1,1,2,2-tetramethylcyclopropane
CID 165506110
(1-Bromo-2-methylpropan-2-yl)cyclohexane
CID 20648783
Triethyl-n-hexyl bromide
CID 129654309
1-Bromo-4-ethyl-4,7,7-trimethyloctane
CID 154085294
2-Bromo-1-methyl-1-pentyl-cyclopropane
CID 67373096

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2,2-dimethyl-1-(2-methylbutyl)cyclopropane?
The IUPAC name of 1-(bromomethyl)-2,2-dimethyl-1-(2-methylbutyl)cyclopropane (CID 165442992) is 1-(bromomethyl)-2,2-dimethyl-1-(2-methylbutyl)cyclopropane.
What is the SMILES notation for 1-(bromomethyl)-2,2-dimethyl-1-(2-methylbutyl)cyclopropane?
The canonical SMILES for 1-(bromomethyl)-2,2-dimethyl-1-(2-methylbutyl)cyclopropane is CCC(C)CC1(CBr)CC1(C)C.
What is the InChIKey of 1-(bromomethyl)-2,2-dimethyl-1-(2-methylbutyl)cyclopropane?
The InChIKey is CJROLQQLKVIGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Br/c1-5-9(2)6-11(8-12)7-10(11,3)4/h9H,5-8H2,1-4H3.
What are the key properties of 1-(bromomethyl)-2,2-dimethyl-1-(2-methylbutyl)cyclopropane?
1-(bromomethyl)-2,2-dimethyl-1-(2-methylbutyl)cyclopropane has a molecular weight of 233.19 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2,2-dimethyl-1-(2-methylbutyl)cyclopropane is sourced from PubChem (CID 165442992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).