2-methyl-2-thiophen-2-yl-1,3-dioxole

C8H8O2S — CID 141238164

IUPAC2-methyl-2-thiophen-2-yl-1,3-dioxole
SMILESCC1(c2cccs2)OC=CO1
InChIInChI=1S/C8H8O2S/c1-8(9-4-5-10-8)7-3-2-6-11-7/h2-6H,1H3
InChIKeySYCRTAIPTZLMGE-UHFFFAOYSA-N
MW168.22 g/mol
LogP2.44
Rot. Bonds1

About 2-methyl-2-thiophen-2-yl-1,3-dioxole

2-methyl-2-thiophen-2-yl-1,3-dioxole (PubChem CID 141238164) has the molecular formula C8H8O2S and a molecular weight of 168.22 g/mol. Its IUPAC name is 2-methyl-2-thiophen-2-yl-1,3-dioxole.

Molecular Properties

Compound Name2-methyl-2-thiophen-2-yl-1,3-dioxole
PubChem CID141238164
Molecular FormulaC8H8O2S
Molecular Weight168.22 g/mol
Exact Mass168.02
IUPAC Name2-methyl-2-thiophen-2-yl-1,3-dioxole
SMILESCC1(c2cccs2)OC=CO1
InChIInChI=1S/C8H8O2S/c1-8(9-4-5-10-8)7-3-2-6-11-7/h2-6H,1H3
InChIKeySYCRTAIPTZLMGE-UHFFFAOYSA-N
XLogP2.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-thiophen-2-yl-1,3-dioxole?
The IUPAC name of 2-methyl-2-thiophen-2-yl-1,3-dioxole (CID 141238164) is 2-methyl-2-thiophen-2-yl-1,3-dioxole.
What is the SMILES notation for 2-methyl-2-thiophen-2-yl-1,3-dioxole?
The canonical SMILES for 2-methyl-2-thiophen-2-yl-1,3-dioxole is CC1(c2cccs2)OC=CO1.
What is the InChIKey of 2-methyl-2-thiophen-2-yl-1,3-dioxole?
The InChIKey is SYCRTAIPTZLMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2S/c1-8(9-4-5-10-8)7-3-2-6-11-7/h2-6H,1H3.
What are the key properties of 2-methyl-2-thiophen-2-yl-1,3-dioxole?
2-methyl-2-thiophen-2-yl-1,3-dioxole has a molecular weight of 168.22 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-thiophen-2-yl-1,3-dioxole is sourced from PubChem (CID 141238164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).