(1S,10R)-6-methoxy-11,11,15,15-tetramethyl-8,12,14-trioxa-16λ4-thiatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13(17)-tetraene 16-oxide

C18H22O5S — CID 100928322

IUPAC(1S,10R)-6-methoxy-11,11,15,15-tetramethyl-8,12,14-trioxa-16λ4-thiatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13(17)-tetraene 16-oxide
SMILESCOc1cccc2c1OC[C@H]1[C@@H]2C2=C(OC1(C)C)OC(C)(C)S2=O
InChIInChI=1S/C18H22O5S/c1-17(2)11-9-21-14-10(7-6-8-12(14)20-5)13(11)15-16(22-17)23-18(3,4)24(15)19/h6-8,11,13H,9H2,1-5H3/t11-,13+,24?/m0/s1
InChIKeyVOAMMCUKYDAAFG-PSRAYLCPSA-N
MW350.44 g/mol
LogP3.28
Rot. Bonds1

About (1S,10R)-6-methoxy-11,11,15,15-tetramethyl-8,12,14-trioxa-16λ4-thiatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13(17)-tetraene 16-oxide

(1S,10R)-6-methoxy-11,11,15,15-tetramethyl-8,12,14-trioxa-16λ4-thiatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13(17)-tetraene 16-oxide (PubChem CID 100928322) has the molecular formula C18H22O5S and a molecular weight of 350.44 g/mol. Its IUPAC name is (1S,10R)-6-methoxy-11,11,15,15-tetramethyl-8,12,14-trioxa-16λ4-thiatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13(17)-tetraene 16-oxide.

Molecular Properties

Compound Name(1S,10R)-6-methoxy-11,11,15,15-tetramethyl-8,12,14-trioxa-16λ4-thiatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13(17)-tetraene 16-oxide
PubChem CID100928322
Molecular FormulaC18H22O5S
Molecular Weight350.44 g/mol
Exact Mass350.12
IUPAC Name(1S,10R)-6-methoxy-11,11,15,15-tetramethyl-8,12,14-trioxa-16λ4-thiatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13(17)-tetraene 16-oxide
SMILESCOc1cccc2c1OC[C@H]1[C@@H]2C2=C(OC1(C)C)OC(C)(C)S2=O
InChIInChI=1S/C18H22O5S/c1-17(2)11-9-21-14-10(7-6-8-12(14)20-5)13(11)15-16(22-17)23-18(3,4)24(15)19/h6-8,11,13H,9H2,1-5H3/t11-,13+,24?/m0/s1
InChIKeyVOAMMCUKYDAAFG-PSRAYLCPSA-N
XLogP3.28
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1S,10R)-6-methoxy-11,11,15,15-tetramethyl-8,12,14-trioxa-16λ4-thiatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13(17)-tetraene 16-oxide with MolForge

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Related Compounds

6-methoxy-11,11,16-trimethyl-8,12-dioxa-14,15-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13,16-pentaene
CID 13326140
(1S,10R,15S,16S)-15-tert-butyl-11,11,15-trimethyl-8,12,14-trioxa-16λ4-thiatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17)-tetraene 16-oxide
CID 10808645
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CID 101012026
8-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
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(3aS,9bR)-6-methoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole
CID 6610472
4-(azepan-1-yl)-8-methoxy-3,4-dihydro-2H-chromen-3-ol
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CID 70426824
4-[benzyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol
CID 82188689
2-bromo-5-methoxy-2,3-dihydro-1,4-benzodioxine
CID 167513731
(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7023638
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CID 70446962
(3R)-3-hydroxy-8,16-dimethoxy-10,14-dioxatricyclo[13.4.0.04,9]nonadeca-1(15),4(9),5,7,16,18-hexaen-2-one
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Frequently Asked Questions

What is the IUPAC name of (1S,10R)-6-methoxy-11,11,15,15-tetramethyl-8,12,14-trioxa-16λ4-thiatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13(17)-tetraene 16-oxide?
The IUPAC name of (1S,10R)-6-methoxy-11,11,15,15-tetramethyl-8,12,14-trioxa-16λ4-thiatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13(17)-tetraene 16-oxide (CID 100928322) is (1S,10R)-6-methoxy-11,11,15,15-tetramethyl-8,12,14-trioxa-16λ4-thiatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13(17)-tetraene 16-oxide.
What is the SMILES notation for (1S,10R)-6-methoxy-11,11,15,15-tetramethyl-8,12,14-trioxa-16λ4-thiatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13(17)-tetraene 16-oxide?
The canonical SMILES for (1S,10R)-6-methoxy-11,11,15,15-tetramethyl-8,12,14-trioxa-16λ4-thiatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13(17)-tetraene 16-oxide is COc1cccc2c1OC[C@H]1[C@@H]2C2=C(OC1(C)C)OC(C)(C)S2=O.
What is the InChIKey of (1S,10R)-6-methoxy-11,11,15,15-tetramethyl-8,12,14-trioxa-16λ4-thiatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13(17)-tetraene 16-oxide?
The InChIKey is VOAMMCUKYDAAFG-PSRAYLCPSA-N. The full InChI is InChI=1S/C18H22O5S/c1-17(2)11-9-21-14-10(7-6-8-12(14)20-5)13(11)15-16(22-17)23-18(3,4)24(15)19/h6-8,11,13H,9H2,1-5H3/t11-,13+,24?/m0/s1.
What are the key properties of (1S,10R)-6-methoxy-11,11,15,15-tetramethyl-8,12,14-trioxa-16λ4-thiatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13(17)-tetraene 16-oxide?
(1S,10R)-6-methoxy-11,11,15,15-tetramethyl-8,12,14-trioxa-16λ4-thiatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13(17)-tetraene 16-oxide has a molecular weight of 350.44 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,10R)-6-methoxy-11,11,15,15-tetramethyl-8,12,14-trioxa-16λ4-thiatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13(17)-tetraene 16-oxide is sourced from PubChem (CID 100928322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).