3-(bromomethyl)-2-methyl-3-(thiophen-2-ylmethyl)oxolane

C11H15BrOS — CID 114536032

IUPAC3-(bromomethyl)-2-methyl-3-(thiophen-2-ylmethyl)oxolane
SMILESCC1OCCC1(CBr)Cc1cccs1
InChIInChI=1S/C11H15BrOS/c1-9-11(8-12,4-5-13-9)7-10-3-2-6-14-10/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyPVFWKGDZTKQUHQ-UHFFFAOYSA-N
MW275.21 g/mol
LogP3.48
Rot. Bonds3

About 3-(bromomethyl)-2-methyl-3-(thiophen-2-ylmethyl)oxolane

3-(bromomethyl)-2-methyl-3-(thiophen-2-ylmethyl)oxolane (PubChem CID 114536032) has the molecular formula C11H15BrOS and a molecular weight of 275.21 g/mol. Its IUPAC name is 3-(bromomethyl)-2-methyl-3-(thiophen-2-ylmethyl)oxolane.

Molecular Properties

Compound Name3-(bromomethyl)-2-methyl-3-(thiophen-2-ylmethyl)oxolane
PubChem CID114536032
Molecular FormulaC11H15BrOS
Molecular Weight275.21 g/mol
Exact Mass274.00
IUPAC Name3-(bromomethyl)-2-methyl-3-(thiophen-2-ylmethyl)oxolane
SMILESCC1OCCC1(CBr)Cc1cccs1
InChIInChI=1S/C11H15BrOS/c1-9-11(8-12,4-5-13-9)7-10-3-2-6-14-10/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyPVFWKGDZTKQUHQ-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(bromomethyl)-2-cyclopropyl-3-(thiophen-2-ylmethyl)oxolane
CID 104510783
5-[[3-(bromomethyl)-2-methyloxolan-3-yl]methyl]-1,3-thiazole
CID 114535901
2-methyl-4-(thiophen-2-ylmethyl)oxan-4-ol
CID 65149523
3-(bromomethyl)-3-[(3,4-difluorophenyl)methyl]-2-methyloxolane
CID 114535939
3-(bromomethyl)-3-ethyl-2-methyloxolane
CID 114535961
N-[[2-cyclopropyl-3-(thiophen-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 104509839
3-[[3-(bromomethyl)-2-methyloxolan-3-yl]methyl]-2,3-dihydro-1-benzofuran
CID 114536040
3-(aminomethyl)-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)oxolan-3-amine
CID 82718623
2,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexan-1-ol
CID 65154121
N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534739
[2-methyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-yl]methanol
CID 114535607
[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine
CID 114534046

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-methyl-3-(thiophen-2-ylmethyl)oxolane?
The IUPAC name of 3-(bromomethyl)-2-methyl-3-(thiophen-2-ylmethyl)oxolane (CID 114536032) is 3-(bromomethyl)-2-methyl-3-(thiophen-2-ylmethyl)oxolane.
What is the SMILES notation for 3-(bromomethyl)-2-methyl-3-(thiophen-2-ylmethyl)oxolane?
The canonical SMILES for 3-(bromomethyl)-2-methyl-3-(thiophen-2-ylmethyl)oxolane is CC1OCCC1(CBr)Cc1cccs1.
What is the InChIKey of 3-(bromomethyl)-2-methyl-3-(thiophen-2-ylmethyl)oxolane?
The InChIKey is PVFWKGDZTKQUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrOS/c1-9-11(8-12,4-5-13-9)7-10-3-2-6-14-10/h2-3,6,9H,4-5,7-8H2,1H3.
What are the key properties of 3-(bromomethyl)-2-methyl-3-(thiophen-2-ylmethyl)oxolane?
3-(bromomethyl)-2-methyl-3-(thiophen-2-ylmethyl)oxolane has a molecular weight of 275.21 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2-methyl-3-(thiophen-2-ylmethyl)oxolane is sourced from PubChem (CID 114536032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).