2-(bromomethyl)-5-(4-bromothiophen-3-yl)oxolane

C9H10Br2OS — CID 130582424

IUPAC2-(bromomethyl)-5-(4-bromothiophen-3-yl)oxolane
SMILESBrCC1CCC(c2cscc2Br)O1
InChIInChI=1S/C9H10Br2OS/c10-3-6-1-2-9(12-6)7-4-13-5-8(7)11/h4-6,9H,1-3H2
InChIKeyVFVLVPGITKEWMJ-UHFFFAOYSA-N
MW326.05 g/mol
LogP4.13
Rot. Bonds2

About 2-(bromomethyl)-5-(4-bromothiophen-3-yl)oxolane

2-(bromomethyl)-5-(4-bromothiophen-3-yl)oxolane (PubChem CID 130582424) has the molecular formula C9H10Br2OS and a molecular weight of 326.05 g/mol. Its IUPAC name is 2-(bromomethyl)-5-(4-bromothiophen-3-yl)oxolane.

Molecular Properties

Compound Name2-(bromomethyl)-5-(4-bromothiophen-3-yl)oxolane
PubChem CID130582424
Molecular FormulaC9H10Br2OS
Molecular Weight326.05 g/mol
Exact Mass323.88
IUPAC Name2-(bromomethyl)-5-(4-bromothiophen-3-yl)oxolane
SMILESBrCC1CCC(c2cscc2Br)O1
InChIInChI=1S/C9H10Br2OS/c10-3-6-1-2-9(12-6)7-4-13-5-8(7)11/h4-6,9H,1-3H2
InChIKeyVFVLVPGITKEWMJ-UHFFFAOYSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.05
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-(4-bromothiophen-3-yl)oxolane?
The IUPAC name of 2-(bromomethyl)-5-(4-bromothiophen-3-yl)oxolane (CID 130582424) is 2-(bromomethyl)-5-(4-bromothiophen-3-yl)oxolane.
What is the SMILES notation for 2-(bromomethyl)-5-(4-bromothiophen-3-yl)oxolane?
The canonical SMILES for 2-(bromomethyl)-5-(4-bromothiophen-3-yl)oxolane is BrCC1CCC(c2cscc2Br)O1.
What is the InChIKey of 2-(bromomethyl)-5-(4-bromothiophen-3-yl)oxolane?
The InChIKey is VFVLVPGITKEWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2OS/c10-3-6-1-2-9(12-6)7-4-13-5-8(7)11/h4-6,9H,1-3H2.
What are the key properties of 2-(bromomethyl)-5-(4-bromothiophen-3-yl)oxolane?
2-(bromomethyl)-5-(4-bromothiophen-3-yl)oxolane has a molecular weight of 326.05 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-(4-bromothiophen-3-yl)oxolane is sourced from PubChem (CID 130582424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).