4-[(5-bromothiophen-2-yl)methyl]-3-chloro-2,2-dimethyloxolane

C11H14BrClOS — CID 131209242

IUPAC4-[(5-bromothiophen-2-yl)methyl]-3-chloro-2,2-dimethyloxolane
SMILESCC1(C)OCC(Cc2ccc(Br)s2)C1Cl
InChIInChI=1S/C11H14BrClOS/c1-11(2)10(13)7(6-14-11)5-8-3-4-9(12)15-8/h3-4,7,10H,5-6H2,1-2H3
InChIKeyQAWVJLIPZFUQFZ-UHFFFAOYSA-N
MW309.66 g/mol
LogP4.09
Rot. Bonds2

About 4-[(5-bromothiophen-2-yl)methyl]-3-chloro-2,2-dimethyloxolane

4-[(5-bromothiophen-2-yl)methyl]-3-chloro-2,2-dimethyloxolane (PubChem CID 131209242) has the molecular formula C11H14BrClOS and a molecular weight of 309.66 g/mol. Its IUPAC name is 4-[(5-bromothiophen-2-yl)methyl]-3-chloro-2,2-dimethyloxolane.

Molecular Properties

Compound Name4-[(5-bromothiophen-2-yl)methyl]-3-chloro-2,2-dimethyloxolane
PubChem CID131209242
Molecular FormulaC11H14BrClOS
Molecular Weight309.66 g/mol
Exact Mass307.96
IUPAC Name4-[(5-bromothiophen-2-yl)methyl]-3-chloro-2,2-dimethyloxolane
SMILESCC1(C)OCC(Cc2ccc(Br)s2)C1Cl
InChIInChI=1S/C11H14BrClOS/c1-11(2)10(13)7(6-14-11)5-8-3-4-9(12)15-8/h3-4,7,10H,5-6H2,1-2H3
InChIKeyQAWVJLIPZFUQFZ-UHFFFAOYSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.66
LogP ≤ 54.09
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 4-[(5-bromothiophen-2-yl)methyl]-3-chloro-2,2-dimethyloxolane?
The IUPAC name of 4-[(5-bromothiophen-2-yl)methyl]-3-chloro-2,2-dimethyloxolane (CID 131209242) is 4-[(5-bromothiophen-2-yl)methyl]-3-chloro-2,2-dimethyloxolane.
What is the SMILES notation for 4-[(5-bromothiophen-2-yl)methyl]-3-chloro-2,2-dimethyloxolane?
The canonical SMILES for 4-[(5-bromothiophen-2-yl)methyl]-3-chloro-2,2-dimethyloxolane is CC1(C)OCC(Cc2ccc(Br)s2)C1Cl.
What is the InChIKey of 4-[(5-bromothiophen-2-yl)methyl]-3-chloro-2,2-dimethyloxolane?
The InChIKey is QAWVJLIPZFUQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClOS/c1-11(2)10(13)7(6-14-11)5-8-3-4-9(12)15-8/h3-4,7,10H,5-6H2,1-2H3.
What are the key properties of 4-[(5-bromothiophen-2-yl)methyl]-3-chloro-2,2-dimethyloxolane?
4-[(5-bromothiophen-2-yl)methyl]-3-chloro-2,2-dimethyloxolane has a molecular weight of 309.66 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromothiophen-2-yl)methyl]-3-chloro-2,2-dimethyloxolane is sourced from PubChem (CID 131209242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).