(11R)-7-methyl-15-methylidene-10-trimethylsilyloxy-13-oxapentacyclo[10.2.2.18,11.01,10.04,9]heptadeca-4(9),5,7-trien-14-one

C21H26O3Si — CID 162417279

IUPAC(11R)-7-methyl-15-methylidene-10-trimethylsilyloxy-13-oxapentacyclo[10.2.2.18,11.01,10.04,9]heptadeca-4(9),5,7-trien-14-one
SMILESC=C1CC2OC(=O)C13CCc1ccc(C)c4c1C3(O[Si](C)(C)C)[C@@H]2C4
InChIInChI=1S/C21H26O3Si/c1-12-6-7-14-8-9-20-13(2)10-17(23-19(20)22)16-11-15(12)18(14)21(16,20)24-25(3,4)5/h6-7,16-17H,2,8-11H2,1,3-5H3/t16-,17?,20?,21?/m1/s1
InChIKeyZTDSHIBDBPSVFH-GHNZTPCLSA-N
MW354.52 g/mol
LogP4.03
Rot. Bonds2

About (11R)-7-methyl-15-methylidene-10-trimethylsilyloxy-13-oxapentacyclo[10.2.2.18,11.01,10.04,9]heptadeca-4(9),5,7-trien-14-one

(11R)-7-methyl-15-methylidene-10-trimethylsilyloxy-13-oxapentacyclo[10.2.2.18,11.01,10.04,9]heptadeca-4(9),5,7-trien-14-one (PubChem CID 162417279) has the molecular formula C21H26O3Si and a molecular weight of 354.52 g/mol. Its IUPAC name is (11R)-7-methyl-15-methylidene-10-trimethylsilyloxy-13-oxapentacyclo[10.2.2.18,11.01,10.04,9]heptadeca-4(9),5,7-trien-14-one.

Molecular Properties

Compound Name(11R)-7-methyl-15-methylidene-10-trimethylsilyloxy-13-oxapentacyclo[10.2.2.18,11.01,10.04,9]heptadeca-4(9),5,7-trien-14-one
PubChem CID162417279
Molecular FormulaC21H26O3Si
Molecular Weight354.52 g/mol
Exact Mass354.17
IUPAC Name(11R)-7-methyl-15-methylidene-10-trimethylsilyloxy-13-oxapentacyclo[10.2.2.18,11.01,10.04,9]heptadeca-4(9),5,7-trien-14-one
SMILESC=C1CC2OC(=O)C13CCc1ccc(C)c4c1C3(O[Si](C)(C)C)[C@@H]2C4
InChIInChI=1S/C21H26O3Si/c1-12-6-7-14-8-9-20-13(2)10-17(23-19(20)22)16-11-15(12)18(14)21(16,20)24-25(3,4)5/h6-7,16-17H,2,8-11H2,1,3-5H3/t16-,17?,20?,21?/m1/s1
InChIKeyZTDSHIBDBPSVFH-GHNZTPCLSA-N
XLogP4.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R,10R,11R,12S,15S)-10-hydroxy-7,15-dimethyl-13-oxapentacyclo[10.2.2.18,11.01,10.04,9]heptadeca-4(9),5,7-triene-3,14-dione
CID 164680435
(1R,12S,13R,16R)-11-hydroxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.19,12.01,11.04,10]octadeca-4,7,9-triene-6,15-dione
CID 10710239
(1R,11S,12R,13S,16R)-11-hydroxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.19,12.01,11.04,10]octadeca-4,7,9-triene-6,15-dione
CID 162982080
3a,6-dimethyl-2,3,4,5-tetrahydro-1H-acenaphthylene
CID 177102559
3,3,8-trimethyl-2,4-dihydro-1H-naphthalene
CID 59978113
(1-methoxy-9b-trimethylsilyloxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-yl)oxy-trimethylsilane
CID 101256549
7-methylspiro[1,2-dihydroindene-3,2'-oxetane]
CID 84618324
8-methyl-3-methylidene-2,4-dihydro-1H-naphthalene
CID 147775008
(1R,10R,11R,15R)-10-hydroxy-7,18-dimethyl-13,16-dioxahexacyclo[12.3.1.01,10.04,9.08,12.011,15]octadeca-4(9),5,7-trien-17-one
CID 164680730
(1S,5R,6S,13S)-6-hydroxy-8-methyl-4-methylidene-2-oxatricyclo[7.3.1.05,13]tridec-8-en-3-one
CID 139190613
3-(1,4-dimethyl-2,3-dihydroinden-1-yl)-1,2-oxazol-4-amine
CID 139770772
4,4'-dimethoxy-5,5'-dimethyl-3,3'-spirobi[1,2-dihydroindene];ethane
CID 145190891

Frequently Asked Questions

What is the IUPAC name of (11R)-7-methyl-15-methylidene-10-trimethylsilyloxy-13-oxapentacyclo[10.2.2.18,11.01,10.04,9]heptadeca-4(9),5,7-trien-14-one?
The IUPAC name of (11R)-7-methyl-15-methylidene-10-trimethylsilyloxy-13-oxapentacyclo[10.2.2.18,11.01,10.04,9]heptadeca-4(9),5,7-trien-14-one (CID 162417279) is (11R)-7-methyl-15-methylidene-10-trimethylsilyloxy-13-oxapentacyclo[10.2.2.18,11.01,10.04,9]heptadeca-4(9),5,7-trien-14-one.
What is the SMILES notation for (11R)-7-methyl-15-methylidene-10-trimethylsilyloxy-13-oxapentacyclo[10.2.2.18,11.01,10.04,9]heptadeca-4(9),5,7-trien-14-one?
The canonical SMILES for (11R)-7-methyl-15-methylidene-10-trimethylsilyloxy-13-oxapentacyclo[10.2.2.18,11.01,10.04,9]heptadeca-4(9),5,7-trien-14-one is C=C1CC2OC(=O)C13CCc1ccc(C)c4c1C3(O[Si](C)(C)C)[C@@H]2C4.
What is the InChIKey of (11R)-7-methyl-15-methylidene-10-trimethylsilyloxy-13-oxapentacyclo[10.2.2.18,11.01,10.04,9]heptadeca-4(9),5,7-trien-14-one?
The InChIKey is ZTDSHIBDBPSVFH-GHNZTPCLSA-N. The full InChI is InChI=1S/C21H26O3Si/c1-12-6-7-14-8-9-20-13(2)10-17(23-19(20)22)16-11-15(12)18(14)21(16,20)24-25(3,4)5/h6-7,16-17H,2,8-11H2,1,3-5H3/t16-,17?,20?,21?/m1/s1.
What are the key properties of (11R)-7-methyl-15-methylidene-10-trimethylsilyloxy-13-oxapentacyclo[10.2.2.18,11.01,10.04,9]heptadeca-4(9),5,7-trien-14-one?
(11R)-7-methyl-15-methylidene-10-trimethylsilyloxy-13-oxapentacyclo[10.2.2.18,11.01,10.04,9]heptadeca-4(9),5,7-trien-14-one has a molecular weight of 354.52 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-7-methyl-15-methylidene-10-trimethylsilyloxy-13-oxapentacyclo[10.2.2.18,11.01,10.04,9]heptadeca-4(9),5,7-trien-14-one is sourced from PubChem (CID 162417279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).