5-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethyloxolane

C12H21BrO — CID 116525208

IUPAC5-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethyloxolane
SMILESCC1(C)CCC(CC2(CBr)CCC2)O1
InChIInChI=1S/C12H21BrO/c1-11(2)7-4-10(14-11)8-12(9-13)5-3-6-12/h10H,3-9H2,1-2H3
InChIKeyGJAQXISJLZRAEY-UHFFFAOYSA-N
MW261.20 g/mol
LogP3.90
Rot. Bonds3

About 5-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethyloxolane

5-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethyloxolane (PubChem CID 116525208) has the molecular formula C12H21BrO and a molecular weight of 261.20 g/mol. Its IUPAC name is 5-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethyloxolane.

Molecular Properties

Compound Name5-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethyloxolane
PubChem CID116525208
Molecular FormulaC12H21BrO
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC Name5-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethyloxolane
SMILESCC1(C)CCC(CC2(CBr)CCC2)O1
InChIInChI=1S/C12H21BrO/c1-11(2)7-4-10(14-11)8-12(9-13)5-3-6-12/h10H,3-9H2,1-2H3
InChIKeyGJAQXISJLZRAEY-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 53.90
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

5-[[3-(bromomethyl)-3-bicyclo[3.1.0]hexanyl]methyl]-2,2-dimethyloxolane
CID 116525254
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 116523643
2-[[1-(bromomethyl)cyclopentyl]methyl]-1-oxaspiro[4.5]decane
CID 102902158
2-[[1-(bromomethyl)cyclohexyl]methyl]-1-oxaspiro[4.5]decane
CID 102902155
1-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutane-1-carboxylic acid
CID 116522822
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]cyclopentyl]methyl]-2-methoxyethanamine
CID 116523652
[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methanol
CID 116525124
2-(aminomethyl)-2-[(5,5-dimethyloxolan-2-yl)methyl]-6,6-dimethylcyclohexan-1-ol
CID 116525014
N-[[3-[(5,5-dimethyloxolan-2-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine
CID 116523798
N-[[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 116523691
2-[(5,5-dimethyloxolan-2-yl)methyl]thiolane-2-carboxylic acid
CID 116525032
2-[[3-(bromomethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.5]decane
CID 102902198

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethyloxolane?
The IUPAC name of 5-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethyloxolane (CID 116525208) is 5-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethyloxolane.
What is the SMILES notation for 5-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethyloxolane?
The canonical SMILES for 5-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethyloxolane is CC1(C)CCC(CC2(CBr)CCC2)O1.
What is the InChIKey of 5-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethyloxolane?
The InChIKey is GJAQXISJLZRAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrO/c1-11(2)7-4-10(14-11)8-12(9-13)5-3-6-12/h10H,3-9H2,1-2H3.
What are the key properties of 5-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethyloxolane?
5-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethyloxolane has a molecular weight of 261.20 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethyloxolane is sourced from PubChem (CID 116525208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).