4-[(2,5-dibromothiophen-3-yl)methoxymethyl]-2,2-dimethyl-1,3-dioxole

C11H12Br2O3S — CID 141312611

IUPAC4-[(2,5-dibromothiophen-3-yl)methoxymethyl]-2,2-dimethyl-1,3-dioxole
SMILESCC1(C)OC=C(COCc2cc(Br)sc2Br)O1
InChIInChI=1S/C11H12Br2O3S/c1-11(2)15-6-8(16-11)5-14-4-7-3-9(12)17-10(7)13/h3,6H,4-5H2,1-2H3
InChIKeyPQDIABYUJZARKZ-UHFFFAOYSA-N
MW384.09 g/mol
LogP4.41
Rot. Bonds4

About 4-[(2,5-dibromothiophen-3-yl)methoxymethyl]-2,2-dimethyl-1,3-dioxole

4-[(2,5-dibromothiophen-3-yl)methoxymethyl]-2,2-dimethyl-1,3-dioxole (PubChem CID 141312611) has the molecular formula C11H12Br2O3S and a molecular weight of 384.09 g/mol. Its IUPAC name is 4-[(2,5-dibromothiophen-3-yl)methoxymethyl]-2,2-dimethyl-1,3-dioxole.

Molecular Properties

Compound Name4-[(2,5-dibromothiophen-3-yl)methoxymethyl]-2,2-dimethyl-1,3-dioxole
PubChem CID141312611
Molecular FormulaC11H12Br2O3S
Molecular Weight384.09 g/mol
Exact Mass381.89
IUPAC Name4-[(2,5-dibromothiophen-3-yl)methoxymethyl]-2,2-dimethyl-1,3-dioxole
SMILESCC1(C)OC=C(COCc2cc(Br)sc2Br)O1
InChIInChI=1S/C11H12Br2O3S/c1-11(2)15-6-8(16-11)5-14-4-7-3-9(12)17-10(7)13/h3,6H,4-5H2,1-2H3
InChIKeyPQDIABYUJZARKZ-UHFFFAOYSA-N
XLogP4.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.09
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dibromothiophen-3-yl)methoxymethyl]-2,2-dimethyl-1,3-dioxole?
The IUPAC name of 4-[(2,5-dibromothiophen-3-yl)methoxymethyl]-2,2-dimethyl-1,3-dioxole (CID 141312611) is 4-[(2,5-dibromothiophen-3-yl)methoxymethyl]-2,2-dimethyl-1,3-dioxole.
What is the SMILES notation for 4-[(2,5-dibromothiophen-3-yl)methoxymethyl]-2,2-dimethyl-1,3-dioxole?
The canonical SMILES for 4-[(2,5-dibromothiophen-3-yl)methoxymethyl]-2,2-dimethyl-1,3-dioxole is CC1(C)OC=C(COCc2cc(Br)sc2Br)O1.
What is the InChIKey of 4-[(2,5-dibromothiophen-3-yl)methoxymethyl]-2,2-dimethyl-1,3-dioxole?
The InChIKey is PQDIABYUJZARKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2O3S/c1-11(2)15-6-8(16-11)5-14-4-7-3-9(12)17-10(7)13/h3,6H,4-5H2,1-2H3.
What are the key properties of 4-[(2,5-dibromothiophen-3-yl)methoxymethyl]-2,2-dimethyl-1,3-dioxole?
4-[(2,5-dibromothiophen-3-yl)methoxymethyl]-2,2-dimethyl-1,3-dioxole has a molecular weight of 384.09 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dibromothiophen-3-yl)methoxymethyl]-2,2-dimethyl-1,3-dioxole is sourced from PubChem (CID 141312611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).