2-methyl-2-[5-(2-methylpropyl)thiophen-2-yl]-1,3-dioxolane

C12H18O2S — CID 83957723

IUPAC2-methyl-2-[5-(2-methylpropyl)thiophen-2-yl]-1,3-dioxolane
SMILESCC(C)Cc1ccc(C2(C)OCCO2)s1
InChIInChI=1S/C12H18O2S/c1-9(2)8-10-4-5-11(15-10)12(3)13-6-7-14-12/h4-5,9H,6-8H2,1-3H3
InChIKeyPJMMLPZTHWOUBG-UHFFFAOYSA-N
MW226.34 g/mol
LogP3.17
Rot. Bonds3

About 2-methyl-2-[5-(2-methylpropyl)thiophen-2-yl]-1,3-dioxolane

2-methyl-2-[5-(2-methylpropyl)thiophen-2-yl]-1,3-dioxolane (PubChem CID 83957723) has the molecular formula C12H18O2S and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-methyl-2-[5-(2-methylpropyl)thiophen-2-yl]-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-[5-(2-methylpropyl)thiophen-2-yl]-1,3-dioxolane
PubChem CID83957723
Molecular FormulaC12H18O2S
Molecular Weight226.34 g/mol
Exact Mass226.10
IUPAC Name2-methyl-2-[5-(2-methylpropyl)thiophen-2-yl]-1,3-dioxolane
SMILESCC(C)Cc1ccc(C2(C)OCCO2)s1
InChIInChI=1S/C12H18O2S/c1-9(2)8-10-4-5-11(15-10)12(3)13-6-7-14-12/h4-5,9H,6-8H2,1-3H3
InChIKeyPJMMLPZTHWOUBG-UHFFFAOYSA-N
XLogP3.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[5-(2-methylpropyl)thiophen-2-yl]-1,3-dioxolane?
The IUPAC name of 2-methyl-2-[5-(2-methylpropyl)thiophen-2-yl]-1,3-dioxolane (CID 83957723) is 2-methyl-2-[5-(2-methylpropyl)thiophen-2-yl]-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-[5-(2-methylpropyl)thiophen-2-yl]-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-[5-(2-methylpropyl)thiophen-2-yl]-1,3-dioxolane is CC(C)Cc1ccc(C2(C)OCCO2)s1.
What is the InChIKey of 2-methyl-2-[5-(2-methylpropyl)thiophen-2-yl]-1,3-dioxolane?
The InChIKey is PJMMLPZTHWOUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2S/c1-9(2)8-10-4-5-11(15-10)12(3)13-6-7-14-12/h4-5,9H,6-8H2,1-3H3.
What are the key properties of 2-methyl-2-[5-(2-methylpropyl)thiophen-2-yl]-1,3-dioxolane?
2-methyl-2-[5-(2-methylpropyl)thiophen-2-yl]-1,3-dioxolane has a molecular weight of 226.34 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[5-(2-methylpropyl)thiophen-2-yl]-1,3-dioxolane is sourced from PubChem (CID 83957723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).