(4S,7S,11S)-11-methyl-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione

C14H20O3Si — CID 135069867

IUPAC(4S,7S,11S)-11-methyl-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione
SMILESC[C@]12C3=C([Si](C)(C)C)C(=O)O[C@H]1CC[C@H]2CC3=O
InChIInChI=1S/C14H20O3Si/c1-14-8-5-6-10(14)17-13(16)12(18(2,3)4)11(14)9(15)7-8/h8,10H,5-7H2,1-4H3/t8-,10-,14+/m0/s1
InChIKeyPXPXVZZFXNBWOY-QEVYDEPDSA-N
MW264.40 g/mol
LogP2.47
Rot. Bonds1

About (4S,7S,11S)-11-methyl-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione

(4S,7S,11S)-11-methyl-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione (PubChem CID 135069867) has the molecular formula C14H20O3Si and a molecular weight of 264.40 g/mol. Its IUPAC name is (4S,7S,11S)-11-methyl-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione.

Molecular Properties

Compound Name(4S,7S,11S)-11-methyl-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione
PubChem CID135069867
Molecular FormulaC14H20O3Si
Molecular Weight264.40 g/mol
Exact Mass264.12
IUPAC Name(4S,7S,11S)-11-methyl-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione
SMILESC[C@]12C3=C([Si](C)(C)C)C(=O)O[C@H]1CC[C@H]2CC3=O
InChIInChI=1S/C14H20O3Si/c1-14-8-5-6-10(14)17-13(16)12(18(2,3)4)11(14)9(15)7-8/h8,10H,5-7H2,1-4H3/t8-,10-,14+/m0/s1
InChIKeyPXPXVZZFXNBWOY-QEVYDEPDSA-N
XLogP2.47
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S,7S,11S)-11-methyl-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S,7S,11S)-11-methyl-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione?
The IUPAC name of (4S,7S,11S)-11-methyl-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione (CID 135069867) is (4S,7S,11S)-11-methyl-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione.
What is the SMILES notation for (4S,7S,11S)-11-methyl-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione?
The canonical SMILES for (4S,7S,11S)-11-methyl-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione is C[C@]12C3=C([Si](C)(C)C)C(=O)O[C@H]1CC[C@H]2CC3=O.
What is the InChIKey of (4S,7S,11S)-11-methyl-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione?
The InChIKey is PXPXVZZFXNBWOY-QEVYDEPDSA-N. The full InChI is InChI=1S/C14H20O3Si/c1-14-8-5-6-10(14)17-13(16)12(18(2,3)4)11(14)9(15)7-8/h8,10H,5-7H2,1-4H3/t8-,10-,14+/m0/s1.
What are the key properties of (4S,7S,11S)-11-methyl-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione?
(4S,7S,11S)-11-methyl-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione has a molecular weight of 264.40 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,7S,11S)-11-methyl-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione is sourced from PubChem (CID 135069867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).