(1R,3S,8S,10S)-8,12,15,15-tetramethyl-10-triethylsilyloxytricyclo[9.3.1.03,8]pentadeca-5,11-diene-2,4,13-trione

C25H38O4Si — CID 155931118

IUPAC(1R,3S,8S,10S)-8,12,15,15-tetramethyl-10-triethylsilyloxytricyclo[9.3.1.03,8]pentadeca-5,11-diene-2,4,13-trione
SMILESCC[Si](CC)(CC)O[C@H]1C[C@]2(C)CC=CC(=O)[C@H]2C(=O)[C@@H]2CC(=O)C(C)=C1C2(C)C
InChIInChI=1S/C25H38O4Si/c1-8-30(9-2,10-3)29-20-15-25(7)13-11-12-18(26)22(25)23(28)17-14-19(27)16(4)21(20)24(17,5)6/h11-12,17,20,22H,8-10,13-15H2,1-7H3/t17-,20-,22-,25-/m0/s1
InChIKeyIJFCZOZOISOOPK-SHDZPMAFSA-N
MW430.66 g/mol
LogP5.43
Rot. Bonds5

About (1R,3S,8S,10S)-8,12,15,15-tetramethyl-10-triethylsilyloxytricyclo[9.3.1.03,8]pentadeca-5,11-diene-2,4,13-trione

(1R,3S,8S,10S)-8,12,15,15-tetramethyl-10-triethylsilyloxytricyclo[9.3.1.03,8]pentadeca-5,11-diene-2,4,13-trione (PubChem CID 155931118) has the molecular formula C25H38O4Si and a molecular weight of 430.66 g/mol. Its IUPAC name is (1R,3S,8S,10S)-8,12,15,15-tetramethyl-10-triethylsilyloxytricyclo[9.3.1.03,8]pentadeca-5,11-diene-2,4,13-trione.

Molecular Properties

Compound Name(1R,3S,8S,10S)-8,12,15,15-tetramethyl-10-triethylsilyloxytricyclo[9.3.1.03,8]pentadeca-5,11-diene-2,4,13-trione
PubChem CID155931118
Molecular FormulaC25H38O4Si
Molecular Weight430.66 g/mol
Exact Mass430.25
IUPAC Name(1R,3S,8S,10S)-8,12,15,15-tetramethyl-10-triethylsilyloxytricyclo[9.3.1.03,8]pentadeca-5,11-diene-2,4,13-trione
SMILESCC[Si](CC)(CC)O[C@H]1C[C@]2(C)CC=CC(=O)[C@H]2C(=O)[C@@H]2CC(=O)C(C)=C1C2(C)C
InChIInChI=1S/C25H38O4Si/c1-8-30(9-2,10-3)29-20-15-25(7)13-11-12-18(26)22(25)23(28)17-14-19(27)16(4)21(20)24(17,5)6/h11-12,17,20,22H,8-10,13-15H2,1-7H3/t17-,20-,22-,25-/m0/s1
InChIKeyIJFCZOZOISOOPK-SHDZPMAFSA-N
XLogP5.43
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.66
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (1R,3S,8S,10S)-8,12,15,15-tetramethyl-10-triethylsilyloxytricyclo[9.3.1.03,8]pentadeca-5,11-diene-2,4,13-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,8S,10S)-8,12,15,15-tetramethyl-10-triethylsilyloxytricyclo[9.3.1.03,8]pentadeca-5,11-diene-2,4,13-trione?
The IUPAC name of (1R,3S,8S,10S)-8,12,15,15-tetramethyl-10-triethylsilyloxytricyclo[9.3.1.03,8]pentadeca-5,11-diene-2,4,13-trione (CID 155931118) is (1R,3S,8S,10S)-8,12,15,15-tetramethyl-10-triethylsilyloxytricyclo[9.3.1.03,8]pentadeca-5,11-diene-2,4,13-trione.
What is the SMILES notation for (1R,3S,8S,10S)-8,12,15,15-tetramethyl-10-triethylsilyloxytricyclo[9.3.1.03,8]pentadeca-5,11-diene-2,4,13-trione?
The canonical SMILES for (1R,3S,8S,10S)-8,12,15,15-tetramethyl-10-triethylsilyloxytricyclo[9.3.1.03,8]pentadeca-5,11-diene-2,4,13-trione is CC[Si](CC)(CC)O[C@H]1C[C@]2(C)CC=CC(=O)[C@H]2C(=O)[C@@H]2CC(=O)C(C)=C1C2(C)C.
What is the InChIKey of (1R,3S,8S,10S)-8,12,15,15-tetramethyl-10-triethylsilyloxytricyclo[9.3.1.03,8]pentadeca-5,11-diene-2,4,13-trione?
The InChIKey is IJFCZOZOISOOPK-SHDZPMAFSA-N. The full InChI is InChI=1S/C25H38O4Si/c1-8-30(9-2,10-3)29-20-15-25(7)13-11-12-18(26)22(25)23(28)17-14-19(27)16(4)21(20)24(17,5)6/h11-12,17,20,22H,8-10,13-15H2,1-7H3/t17-,20-,22-,25-/m0/s1.
What are the key properties of (1R,3S,8S,10S)-8,12,15,15-tetramethyl-10-triethylsilyloxytricyclo[9.3.1.03,8]pentadeca-5,11-diene-2,4,13-trione?
(1R,3S,8S,10S)-8,12,15,15-tetramethyl-10-triethylsilyloxytricyclo[9.3.1.03,8]pentadeca-5,11-diene-2,4,13-trione has a molecular weight of 430.66 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,8S,10S)-8,12,15,15-tetramethyl-10-triethylsilyloxytricyclo[9.3.1.03,8]pentadeca-5,11-diene-2,4,13-trione is sourced from PubChem (CID 155931118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).