3-(bromomethyl)-3-(2-thiophen-2-ylethyl)oxolane

C11H15BrOS — CID 66048547

IUPAC3-(bromomethyl)-3-(2-thiophen-2-ylethyl)oxolane
SMILESBrCC1(CCc2cccs2)CCOC1
InChIInChI=1S/C11H15BrOS/c12-8-11(5-6-13-9-11)4-3-10-2-1-7-14-10/h1-2,7H,3-6,8-9H2
InChIKeyMDYYPNMIGUVEAS-UHFFFAOYSA-N
MW275.21 g/mol
LogP3.48
Rot. Bonds4

About 3-(bromomethyl)-3-(2-thiophen-2-ylethyl)oxolane

3-(bromomethyl)-3-(2-thiophen-2-ylethyl)oxolane (PubChem CID 66048547) has the molecular formula C11H15BrOS and a molecular weight of 275.21 g/mol. Its IUPAC name is 3-(bromomethyl)-3-(2-thiophen-2-ylethyl)oxolane.

Molecular Properties

Compound Name3-(bromomethyl)-3-(2-thiophen-2-ylethyl)oxolane
PubChem CID66048547
Molecular FormulaC11H15BrOS
Molecular Weight275.21 g/mol
Exact Mass274.00
IUPAC Name3-(bromomethyl)-3-(2-thiophen-2-ylethyl)oxolane
SMILESBrCC1(CCc2cccs2)CCOC1
InChIInChI=1S/C11H15BrOS/c12-8-11(5-6-13-9-11)4-3-10-2-1-7-14-10/h1-2,7H,3-6,8-9H2
InChIKeyMDYYPNMIGUVEAS-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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-(chloromethyl)-3-(thiophen-2-ylmethyl)oxolane
CID 66033453
N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 79486277
N-[[4-(2-thiophen-2-ylethyl)oxan-4-yl]methyl]propan-2-amine
CID 63774106
3-(2-thiophen-2-ylethyl)oxolane-3-carboxylic acid
CID 63774395
N-[[3-(2-thiophen-2-ylethyl)oxan-3-yl]methyl]propan-1-amine
CID 63774465
3-(bromomethyl)-3-(2-methylsulfinylethyl)oxolane
CID 165442456
N-[[3-[[methyl(2-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 79486829
4-(2-thiophen-2-ylethyl)oxepan-4-amine
CID 65076896
1-(3-thiophen-2-ylpropyl)cyclopropan-1-amine
CID 83906553
3-propyl-3-(2-thiophen-2-ylethyl)azetidine
CID 79452456
2-(bromomethyl)thiophene
CID 11829978
2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62256273

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-3-(2-thiophen-2-ylethyl)oxolane?
The IUPAC name of 3-(bromomethyl)-3-(2-thiophen-2-ylethyl)oxolane (CID 66048547) is 3-(bromomethyl)-3-(2-thiophen-2-ylethyl)oxolane.
What is the SMILES notation for 3-(bromomethyl)-3-(2-thiophen-2-ylethyl)oxolane?
The canonical SMILES for 3-(bromomethyl)-3-(2-thiophen-2-ylethyl)oxolane is BrCC1(CCc2cccs2)CCOC1.
What is the InChIKey of 3-(bromomethyl)-3-(2-thiophen-2-ylethyl)oxolane?
The InChIKey is MDYYPNMIGUVEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrOS/c12-8-11(5-6-13-9-11)4-3-10-2-1-7-14-10/h1-2,7H,3-6,8-9H2.
What are the key properties of 3-(bromomethyl)-3-(2-thiophen-2-ylethyl)oxolane?
3-(bromomethyl)-3-(2-thiophen-2-ylethyl)oxolane has a molecular weight of 275.21 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-3-(2-thiophen-2-ylethyl)oxolane is sourced from PubChem (CID 66048547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).