6-(bromomethyl)-2-(cyclobutylmethyl)-2-methyloxane

C12H21BrO — CID 130582765

IUPAC6-(bromomethyl)-2-(cyclobutylmethyl)-2-methyloxane
SMILESCC1(CC2CCC2)CCCC(CBr)O1
InChIInChI=1S/C12H21BrO/c1-12(8-10-4-2-5-10)7-3-6-11(9-13)14-12/h10-11H,2-9H2,1H3
InChIKeyYURNNDGYQASFKX-UHFFFAOYSA-N
MW261.20 g/mol
LogP3.90
Rot. Bonds3

About 6-(bromomethyl)-2-(cyclobutylmethyl)-2-methyloxane

6-(bromomethyl)-2-(cyclobutylmethyl)-2-methyloxane (PubChem CID 130582765) has the molecular formula C12H21BrO and a molecular weight of 261.20 g/mol. Its IUPAC name is 6-(bromomethyl)-2-(cyclobutylmethyl)-2-methyloxane.

Molecular Properties

Compound Name6-(bromomethyl)-2-(cyclobutylmethyl)-2-methyloxane
PubChem CID130582765
Molecular FormulaC12H21BrO
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC Name6-(bromomethyl)-2-(cyclobutylmethyl)-2-methyloxane
SMILESCC1(CC2CCC2)CCCC(CBr)O1
InChIInChI=1S/C12H21BrO/c1-12(8-10-4-2-5-10)7-3-6-11(9-13)14-12/h10-11H,2-9H2,1H3
InChIKeyYURNNDGYQASFKX-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'}

Analyze 6-(bromomethyl)-2-(cyclobutylmethyl)-2-methyloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-(cyclopropylmethyl)-6-methyloxan-2-yl]methanamine
CID 126983740
6-(bromomethyl)-2-cyclopropyl-2-methyloxane
CID 126983630
2-(cyclobutylmethyl)-6-(cyclopentylmethyl)-2-methylmorpholine
CID 103161226
5-(cyclobutylmethyl)-5-methyloxolan-2-one
CID 103439680
(3aR,9aR)-6-(bromomethyl)-2,2-dimethyl-4,6,7,8,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-c]oxocine
CID 10989574
(2R,6S)-2-ethyl-6-hexyl-2-methyloxane
CID 102172667
2-(bromomethyl)-5,5-dimethyloxane
CID 134690899
4-(bromomethyl)-1,5,7-trioxaspiro[5.5]undecane
CID 139830701
(4S)-7-bromo-2-(cyclobutylmethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 104949635
(2S)-2-methyl-2-(oxan-2-ylmethyl)oxane
CID 102007923
7-(bromomethyl)-3-methyl-1,4,6-trioxaspiro[4.4]nonane
CID 71333715
2-[[(2S)-2-methyloxolan-2-yl]methyl]oxane
CID 102007920

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-2-(cyclobutylmethyl)-2-methyloxane?
The IUPAC name of 6-(bromomethyl)-2-(cyclobutylmethyl)-2-methyloxane (CID 130582765) is 6-(bromomethyl)-2-(cyclobutylmethyl)-2-methyloxane.
What is the SMILES notation for 6-(bromomethyl)-2-(cyclobutylmethyl)-2-methyloxane?
The canonical SMILES for 6-(bromomethyl)-2-(cyclobutylmethyl)-2-methyloxane is CC1(CC2CCC2)CCCC(CBr)O1.
What is the InChIKey of 6-(bromomethyl)-2-(cyclobutylmethyl)-2-methyloxane?
The InChIKey is YURNNDGYQASFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrO/c1-12(8-10-4-2-5-10)7-3-6-11(9-13)14-12/h10-11H,2-9H2,1H3.
What are the key properties of 6-(bromomethyl)-2-(cyclobutylmethyl)-2-methyloxane?
6-(bromomethyl)-2-(cyclobutylmethyl)-2-methyloxane 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 6-(bromomethyl)-2-(cyclobutylmethyl)-2-methyloxane is sourced from PubChem (CID 130582765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).