6,15-dimethoxy-13,17-dimethyl-3,10-dithiatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene

C20H24O2S2 — CID 121337465

IUPAC6,15-dimethoxy-13,17-dimethyl-3,10-dithiatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene
SMILESCOc1cc2c(C)cc1CSCc1cc(C)c(cc1OC)CSC2
InChIInChI=1S/C20H24O2S2/c1-13-5-17-11-24-12-18-6-14(2)16(8-20(18)22-4)10-23-9-15(13)7-19(17)21-3/h5-8H,9-12H2,1-4H3
InChIKeyULSCBGGOLGEVJB-UHFFFAOYSA-N
MW360.54 g/mol
LogP5.50
Rot. Bonds2

About 6,15-dimethoxy-13,17-dimethyl-3,10-dithiatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene

6,15-dimethoxy-13,17-dimethyl-3,10-dithiatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene (PubChem CID 121337465) has the molecular formula C20H24O2S2 and a molecular weight of 360.54 g/mol. Its IUPAC name is 6,15-dimethoxy-13,17-dimethyl-3,10-dithiatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene.

Molecular Properties

Compound Name6,15-dimethoxy-13,17-dimethyl-3,10-dithiatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene
PubChem CID121337465
Molecular FormulaC20H24O2S2
Molecular Weight360.54 g/mol
Exact Mass360.12
IUPAC Name6,15-dimethoxy-13,17-dimethyl-3,10-dithiatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene
SMILESCOc1cc2c(C)cc1CSCc1cc(C)c(cc1OC)CSC2
InChIInChI=1S/C20H24O2S2/c1-13-5-17-11-24-12-18-6-14(2)16(8-20(18)22-4)10-23-9-15(13)7-19(17)21-3/h5-8H,9-12H2,1-4H3
InChIKeyULSCBGGOLGEVJB-UHFFFAOYSA-N
XLogP5.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.54
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,15-dimethoxy-13,17-dimethyl-3,10-dithiatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene?
The IUPAC name of 6,15-dimethoxy-13,17-dimethyl-3,10-dithiatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene (CID 121337465) is 6,15-dimethoxy-13,17-dimethyl-3,10-dithiatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene.
What is the SMILES notation for 6,15-dimethoxy-13,17-dimethyl-3,10-dithiatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene?
The canonical SMILES for 6,15-dimethoxy-13,17-dimethyl-3,10-dithiatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene is COc1cc2c(C)cc1CSCc1cc(C)c(cc1OC)CSC2.
What is the InChIKey of 6,15-dimethoxy-13,17-dimethyl-3,10-dithiatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene?
The InChIKey is ULSCBGGOLGEVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2S2/c1-13-5-17-11-24-12-18-6-14(2)16(8-20(18)22-4)10-23-9-15(13)7-19(17)21-3/h5-8H,9-12H2,1-4H3.
What are the key properties of 6,15-dimethoxy-13,17-dimethyl-3,10-dithiatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene?
6,15-dimethoxy-13,17-dimethyl-3,10-dithiatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene has a molecular weight of 360.54 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,15-dimethoxy-13,17-dimethyl-3,10-dithiatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene is sourced from PubChem (CID 121337465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).