5,12-dimethyl-4,17-dioxa-8-thiatetracyclo[8.8.0.02,7.011,16]octadeca-5,11,13,15-tetraene

C17H20O2S — CID 101410555

IUPAC5,12-dimethyl-4,17-dioxa-8-thiatetracyclo[8.8.0.02,7.011,16]octadeca-5,11,13,15-tetraene
SMILESCC1=CC2SCC3c4c(C)cccc4OCC3C2CO1
InChIInChI=1S/C17H20O2S/c1-10-4-3-5-15-17(10)14-9-20-16-6-11(2)18-8-13(16)12(14)7-19-15/h3-6,12-14,16H,7-9H2,1-2H3
InChIKeyZPSMQURJGJLPNR-UHFFFAOYSA-N
MW288.41 g/mol
LogP3.75
Rot. Bonds

About 5,12-dimethyl-4,17-dioxa-8-thiatetracyclo[8.8.0.02,7.011,16]octadeca-5,11,13,15-tetraene

5,12-dimethyl-4,17-dioxa-8-thiatetracyclo[8.8.0.02,7.011,16]octadeca-5,11,13,15-tetraene (PubChem CID 101410555) has the molecular formula C17H20O2S and a molecular weight of 288.41 g/mol. Its IUPAC name is 5,12-dimethyl-4,17-dioxa-8-thiatetracyclo[8.8.0.02,7.011,16]octadeca-5,11,13,15-tetraene.

Molecular Properties

Compound Name5,12-dimethyl-4,17-dioxa-8-thiatetracyclo[8.8.0.02,7.011,16]octadeca-5,11,13,15-tetraene
PubChem CID101410555
Molecular FormulaC17H20O2S
Molecular Weight288.41 g/mol
Exact Mass288.12
IUPAC Name5,12-dimethyl-4,17-dioxa-8-thiatetracyclo[8.8.0.02,7.011,16]octadeca-5,11,13,15-tetraene
SMILESCC1=CC2SCC3c4c(C)cccc4OCC3C2CO1
InChIInChI=1S/C17H20O2S/c1-10-4-3-5-15-17(10)14-9-20-16-6-11(2)18-8-13(16)12(14)7-19-15/h3-6,12-14,16H,7-9H2,1-2H3
InChIKeyZPSMQURJGJLPNR-UHFFFAOYSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,12-dimethyl-4,17-dioxa-8-thiatetracyclo[8.8.0.02,7.011,16]octadeca-5,11,13,15-tetraene with MolForge

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Related Compounds

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CID 116837220
7-methyl-6H-benzo[c]chromene
CID 138981577
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CID 20673027
4-methoxy-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 119057116
[(3S)-7-chloro-5-(2,6-dimethylphenyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
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Frequently Asked Questions

What is the IUPAC name of 5,12-dimethyl-4,17-dioxa-8-thiatetracyclo[8.8.0.02,7.011,16]octadeca-5,11,13,15-tetraene?
The IUPAC name of 5,12-dimethyl-4,17-dioxa-8-thiatetracyclo[8.8.0.02,7.011,16]octadeca-5,11,13,15-tetraene (CID 101410555) is 5,12-dimethyl-4,17-dioxa-8-thiatetracyclo[8.8.0.02,7.011,16]octadeca-5,11,13,15-tetraene.
What is the SMILES notation for 5,12-dimethyl-4,17-dioxa-8-thiatetracyclo[8.8.0.02,7.011,16]octadeca-5,11,13,15-tetraene?
The canonical SMILES for 5,12-dimethyl-4,17-dioxa-8-thiatetracyclo[8.8.0.02,7.011,16]octadeca-5,11,13,15-tetraene is CC1=CC2SCC3c4c(C)cccc4OCC3C2CO1.
What is the InChIKey of 5,12-dimethyl-4,17-dioxa-8-thiatetracyclo[8.8.0.02,7.011,16]octadeca-5,11,13,15-tetraene?
The InChIKey is ZPSMQURJGJLPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2S/c1-10-4-3-5-15-17(10)14-9-20-16-6-11(2)18-8-13(16)12(14)7-19-15/h3-6,12-14,16H,7-9H2,1-2H3.
What are the key properties of 5,12-dimethyl-4,17-dioxa-8-thiatetracyclo[8.8.0.02,7.011,16]octadeca-5,11,13,15-tetraene?
5,12-dimethyl-4,17-dioxa-8-thiatetracyclo[8.8.0.02,7.011,16]octadeca-5,11,13,15-tetraene has a molecular weight of 288.41 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-dimethyl-4,17-dioxa-8-thiatetracyclo[8.8.0.02,7.011,16]octadeca-5,11,13,15-tetraene is sourced from PubChem (CID 101410555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).