4-propan-2-yl-7-oxa-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

C11H10OS2 — CID 140825152

IUPAC4-propan-2-yl-7-oxa-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
SMILESCC(C)c1cc2oc3ccsc3c2s1
InChIInChI=1S/C11H10OS2/c1-6(2)9-5-8-11(14-9)10-7(12-8)3-4-13-10/h3-6H,1-2H3
InChIKeyYLGMRXCPOLINNR-UHFFFAOYSA-N
MW222.33 g/mol
LogP4.83
Rot. Bonds1

About 4-propan-2-yl-7-oxa-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

4-propan-2-yl-7-oxa-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (PubChem CID 140825152) has the molecular formula C11H10OS2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-propan-2-yl-7-oxa-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.

Molecular Properties

Compound Name4-propan-2-yl-7-oxa-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
PubChem CID140825152
Molecular FormulaC11H10OS2
Molecular Weight222.33 g/mol
Exact Mass222.02
IUPAC Name4-propan-2-yl-7-oxa-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
SMILESCC(C)c1cc2oc3ccsc3c2s1
InChIInChI=1S/C11H10OS2/c1-6(2)9-5-8-11(14-9)10-7(12-8)3-4-13-10/h3-6H,1-2H3
InChIKeyYLGMRXCPOLINNR-UHFFFAOYSA-N
XLogP4.83
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-7-oxa-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The IUPAC name of 4-propan-2-yl-7-oxa-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (CID 140825152) is 4-propan-2-yl-7-oxa-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.
What is the SMILES notation for 4-propan-2-yl-7-oxa-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The canonical SMILES for 4-propan-2-yl-7-oxa-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is CC(C)c1cc2oc3ccsc3c2s1.
What is the InChIKey of 4-propan-2-yl-7-oxa-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The InChIKey is YLGMRXCPOLINNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10OS2/c1-6(2)9-5-8-11(14-9)10-7(12-8)3-4-13-10/h3-6H,1-2H3.
What are the key properties of 4-propan-2-yl-7-oxa-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
4-propan-2-yl-7-oxa-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene has a molecular weight of 222.33 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-7-oxa-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is sourced from PubChem (CID 140825152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).