1-(bromomethyl)-1-(2-ethylbutyl)cyclohexane

C13H25Br — CID 82935181

IUPAC1-(bromomethyl)-1-(2-ethylbutyl)cyclohexane
SMILESCCC(CC)CC1(CBr)CCCCC1
InChIInChI=1S/C13H25Br/c1-3-12(4-2)10-13(11-14)8-6-5-7-9-13/h12H,3-11H2,1-2H3
InChIKeyUIQBQYJUOCMVAS-UHFFFAOYSA-N
MW261.25 g/mol
LogP5.16
Rot. Bonds5

About 1-(bromomethyl)-1-(2-ethylbutyl)cyclohexane

1-(bromomethyl)-1-(2-ethylbutyl)cyclohexane (PubChem CID 82935181) has the molecular formula C13H25Br and a molecular weight of 261.25 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(2-ethylbutyl)cyclohexane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(2-ethylbutyl)cyclohexane
PubChem CID82935181
Molecular FormulaC13H25Br
Molecular Weight261.25 g/mol
Exact Mass260.11
IUPAC Name1-(bromomethyl)-1-(2-ethylbutyl)cyclohexane
SMILESCCC(CC)CC1(CBr)CCCCC1
InChIInChI=1S/C13H25Br/c1-3-12(4-2)10-13(11-14)8-6-5-7-9-13/h12H,3-11H2,1-2H3
InChIKeyUIQBQYJUOCMVAS-UHFFFAOYSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.25
LogP ≤ 55.16
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-(2-ethylbutyl)cyclohexyl]methanol
CID 82934579
1,1-bis(bromomethyl)cyclopentane
CID 12651156
1-(bromomethyl)-1-(butan-2-ylsulfanylmethyl)cycloheptane
CID 65010507
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylpentan-3-amine
CID 65010565
3-(bromomethyl)-3-(2-ethylbutyl)bicyclo[3.1.0]hexane
CID 82934986
1-(bromomethyl)-1-(2-methylbutylsulfanylmethyl)cyclohexane
CID 107746923
N-[[1-(bromomethyl)cyclopentyl]methyl]-N,2-dimethylbutan-1-amine
CID 65001469
ethane;1-(2-ethylbutyl)cyclohexane-1-carbonitrile
CID 144507153
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylethanamine
CID 65010072
N-[[1-(2-ethylbutyl)cyclopentyl]methyl]-2-methylpropan-2-amine
CID 82930165
3-(bromomethyl)-3-(2-ethylhexyl)oxane
CID 66042471
1-(bromomethyl)-1-(ethylsulfanylmethyl)cyclohexane
CID 65002459

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(2-ethylbutyl)cyclohexane?
The IUPAC name of 1-(bromomethyl)-1-(2-ethylbutyl)cyclohexane (CID 82935181) is 1-(bromomethyl)-1-(2-ethylbutyl)cyclohexane.
What is the SMILES notation for 1-(bromomethyl)-1-(2-ethylbutyl)cyclohexane?
The canonical SMILES for 1-(bromomethyl)-1-(2-ethylbutyl)cyclohexane is CCC(CC)CC1(CBr)CCCCC1.
What is the InChIKey of 1-(bromomethyl)-1-(2-ethylbutyl)cyclohexane?
The InChIKey is UIQBQYJUOCMVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25Br/c1-3-12(4-2)10-13(11-14)8-6-5-7-9-13/h12H,3-11H2,1-2H3.
What are the key properties of 1-(bromomethyl)-1-(2-ethylbutyl)cyclohexane?
1-(bromomethyl)-1-(2-ethylbutyl)cyclohexane has a molecular weight of 261.25 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(2-ethylbutyl)cyclohexane is sourced from PubChem (CID 82935181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).