propan-2-yl 2-methylidenethieno[3,4-d][1,3]dioxole-4-carboxylate

C10H10O4S — CID 156770249

IUPACpropan-2-yl 2-methylidenethieno[3,4-d][1,3]dioxole-4-carboxylate
SMILESC=C1Oc2csc(C(=O)OC(C)C)c2O1
InChIInChI=1S/C10H10O4S/c1-5(2)12-10(11)9-8-7(4-15-9)13-6(3)14-8/h4-5H,3H2,1-2H3
InChIKeyXYZABKYOHONMIU-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.56
Rot. Bonds2

About propan-2-yl 2-methylidenethieno[3,4-d][1,3]dioxole-4-carboxylate

propan-2-yl 2-methylidenethieno[3,4-d][1,3]dioxole-4-carboxylate (PubChem CID 156770249) has the molecular formula C10H10O4S and a molecular weight of 226.25 g/mol. Its IUPAC name is propan-2-yl 2-methylidenethieno[3,4-d][1,3]dioxole-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-methylidenethieno[3,4-d][1,3]dioxole-4-carboxylate
PubChem CID156770249
Molecular FormulaC10H10O4S
Molecular Weight226.25 g/mol
Exact Mass226.03
IUPAC Namepropan-2-yl 2-methylidenethieno[3,4-d][1,3]dioxole-4-carboxylate
SMILESC=C1Oc2csc(C(=O)OC(C)C)c2O1
InChIInChI=1S/C10H10O4S/c1-5(2)12-10(11)9-8-7(4-15-9)13-6(3)14-8/h4-5H,3H2,1-2H3
InChIKeyXYZABKYOHONMIU-UHFFFAOYSA-N
XLogP2.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-methylidenethieno[3,4-d][1,3]dioxole-4-carboxylate?
The IUPAC name of propan-2-yl 2-methylidenethieno[3,4-d][1,3]dioxole-4-carboxylate (CID 156770249) is propan-2-yl 2-methylidenethieno[3,4-d][1,3]dioxole-4-carboxylate.
What is the SMILES notation for propan-2-yl 2-methylidenethieno[3,4-d][1,3]dioxole-4-carboxylate?
The canonical SMILES for propan-2-yl 2-methylidenethieno[3,4-d][1,3]dioxole-4-carboxylate is C=C1Oc2csc(C(=O)OC(C)C)c2O1.
What is the InChIKey of propan-2-yl 2-methylidenethieno[3,4-d][1,3]dioxole-4-carboxylate?
The InChIKey is XYZABKYOHONMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4S/c1-5(2)12-10(11)9-8-7(4-15-9)13-6(3)14-8/h4-5H,3H2,1-2H3.
What are the key properties of propan-2-yl 2-methylidenethieno[3,4-d][1,3]dioxole-4-carboxylate?
propan-2-yl 2-methylidenethieno[3,4-d][1,3]dioxole-4-carboxylate has a molecular weight of 226.25 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-methylidenethieno[3,4-d][1,3]dioxole-4-carboxylate is sourced from PubChem (CID 156770249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).