1-(bromomethyl)-1-(cyclobutylmethoxy)-3-methylcyclohexane

C13H23BrO — CID 165489879

IUPAC1-(bromomethyl)-1-(cyclobutylmethoxy)-3-methylcyclohexane
SMILESCC1CCCC(CBr)(OCC2CCC2)C1
InChIInChI=1S/C13H23BrO/c1-11-4-3-7-13(8-11,10-14)15-9-12-5-2-6-12/h11-12H,2-10H2,1H3
InChIKeyQDLLFRZGAOZPQI-UHFFFAOYSA-N
MW275.23 g/mol
LogP4.15
Rot. Bonds4

About 1-(bromomethyl)-1-(cyclobutylmethoxy)-3-methylcyclohexane

1-(bromomethyl)-1-(cyclobutylmethoxy)-3-methylcyclohexane (PubChem CID 165489879) has the molecular formula C13H23BrO and a molecular weight of 275.23 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(cyclobutylmethoxy)-3-methylcyclohexane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(cyclobutylmethoxy)-3-methylcyclohexane
PubChem CID165489879
Molecular FormulaC13H23BrO
Molecular Weight275.23 g/mol
Exact Mass274.09
IUPAC Name1-(bromomethyl)-1-(cyclobutylmethoxy)-3-methylcyclohexane
SMILESCC1CCCC(CBr)(OCC2CCC2)C1
InChIInChI=1S/C13H23BrO/c1-11-4-3-7-13(8-11,10-14)15-9-12-5-2-6-12/h11-12H,2-10H2,1H3
InChIKeyQDLLFRZGAOZPQI-UHFFFAOYSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(cyclohexylmethoxy)-3-methylcyclohexyl]methyl]ethanamine
CID 63474493
[1-(cyclobutylmethoxy)-3-methylcyclopentyl]methanamine
CID 65458688
1-(bromomethyl)-3-methyl-1-(4-methylcyclohexyl)oxycyclohexane
CID 63470076
1-(iodomethyl)-3-methyl-1-(3-methylcyclohexyl)oxycyclohexane
CID 114773602
N-[[1-(2-cyclobutylethoxy)-3-methylcyclohexyl]methyl]propan-2-amine
CID 106205092
[3-methyl-1-(3-methylcyclohexyl)oxycyclohexyl]methanamine
CID 62109093
3-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxolane
CID 62108159
(1-methoxy-3-methylcyclohexyl)methanamine
CID 15495984
2-[[1-(iodomethyl)-3-methylcyclohexyl]oxymethyl]oxane
CID 114772658
1-[1-(cycloheptylmethoxy)cyclohexyl]-N-methylmethanamine
CID 114248811
1-[1-(cyclopentylmethoxy)cycloheptyl]-N-methylmethanamine
CID 66322900
[1-(cyclopentylmethoxy)cycloheptyl]methanamine
CID 65051749

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(cyclobutylmethoxy)-3-methylcyclohexane?
The IUPAC name of 1-(bromomethyl)-1-(cyclobutylmethoxy)-3-methylcyclohexane (CID 165489879) is 1-(bromomethyl)-1-(cyclobutylmethoxy)-3-methylcyclohexane.
What is the SMILES notation for 1-(bromomethyl)-1-(cyclobutylmethoxy)-3-methylcyclohexane?
The canonical SMILES for 1-(bromomethyl)-1-(cyclobutylmethoxy)-3-methylcyclohexane is CC1CCCC(CBr)(OCC2CCC2)C1.
What is the InChIKey of 1-(bromomethyl)-1-(cyclobutylmethoxy)-3-methylcyclohexane?
The InChIKey is QDLLFRZGAOZPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrO/c1-11-4-3-7-13(8-11,10-14)15-9-12-5-2-6-12/h11-12H,2-10H2,1H3.
What are the key properties of 1-(bromomethyl)-1-(cyclobutylmethoxy)-3-methylcyclohexane?
1-(bromomethyl)-1-(cyclobutylmethoxy)-3-methylcyclohexane has a molecular weight of 275.23 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(cyclobutylmethoxy)-3-methylcyclohexane is sourced from PubChem (CID 165489879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).