(1S,2S,11S,12R)-13-trimethylsilyltetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione

C18H20O2Si — CID 23266015

IUPAC(1S,2S,11S,12R)-13-trimethylsilyltetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione
SMILESC[Si](C)(C)C1=C[C@H]2C[C@@H]1[C@H]1C(=O)c3ccccc3C(=O)[C@H]12
InChIInChI=1S/C18H20O2Si/c1-21(2,3)14-9-10-8-13(14)16-15(10)17(19)11-6-4-5-7-12(11)18(16)20/h4-7,9-10,13,15-16H,8H2,1-3H3/t10-,13+,15+,16-/m1/s1
InChIKeyQMTSVWNNPQFGOW-UHDJJACNSA-N
MW296.44 g/mol
LogP3.75
Rot. Bonds1

About (1S,2S,11S,12R)-13-trimethylsilyltetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione

(1S,2S,11S,12R)-13-trimethylsilyltetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione (PubChem CID 23266015) has the molecular formula C18H20O2Si and a molecular weight of 296.44 g/mol. Its IUPAC name is (1S,2S,11S,12R)-13-trimethylsilyltetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione.

Molecular Properties

Compound Name(1S,2S,11S,12R)-13-trimethylsilyltetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione
PubChem CID23266015
Molecular FormulaC18H20O2Si
Molecular Weight296.44 g/mol
Exact Mass296.12
IUPAC Name(1S,2S,11S,12R)-13-trimethylsilyltetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione
SMILESC[Si](C)(C)C1=C[C@H]2C[C@@H]1[C@H]1C(=O)c3ccccc3C(=O)[C@H]12
InChIInChI=1S/C18H20O2Si/c1-21(2,3)14-9-10-8-13(14)16-15(10)17(19)11-6-4-5-7-12(11)18(16)20/h4-7,9-10,13,15-16H,8H2,1-3H3/t10-,13+,15+,16-/m1/s1
InChIKeyQMTSVWNNPQFGOW-UHDJJACNSA-N
XLogP3.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_gamma(5)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,11S,12R)-13-trimethylsilyltetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione?
The IUPAC name of (1S,2S,11S,12R)-13-trimethylsilyltetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione (CID 23266015) is (1S,2S,11S,12R)-13-trimethylsilyltetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione.
What is the SMILES notation for (1S,2S,11S,12R)-13-trimethylsilyltetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione?
The canonical SMILES for (1S,2S,11S,12R)-13-trimethylsilyltetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione is C[Si](C)(C)C1=C[C@H]2C[C@@H]1[C@H]1C(=O)c3ccccc3C(=O)[C@H]12.
What is the InChIKey of (1S,2S,11S,12R)-13-trimethylsilyltetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione?
The InChIKey is QMTSVWNNPQFGOW-UHDJJACNSA-N. The full InChI is InChI=1S/C18H20O2Si/c1-21(2,3)14-9-10-8-13(14)16-15(10)17(19)11-6-4-5-7-12(11)18(16)20/h4-7,9-10,13,15-16H,8H2,1-3H3/t10-,13+,15+,16-/m1/s1.
What are the key properties of (1S,2S,11S,12R)-13-trimethylsilyltetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione?
(1S,2S,11S,12R)-13-trimethylsilyltetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione has a molecular weight of 296.44 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,11S,12R)-13-trimethylsilyltetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione is sourced from PubChem (CID 23266015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).