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

C13H18O3Si — CID 102403088

IUPAC(4S,7S,11S)-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione
SMILESC[Si](C)(C)C1=C2C(=O)C[C@@H]3CC[C@H](OC1=O)[C@H]23
InChIInChI=1S/C13H18O3Si/c1-17(2,3)12-11-8(14)6-7-4-5-9(10(7)11)16-13(12)15/h7,9-10H,4-6H2,1-3H3/t7-,9-,10+/m0/s1
InChIKeyWFYZSQRWGVWHQX-UJNFCWOMSA-N
MW250.37 g/mol
LogP2.08
Rot. Bonds1

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

(4S,7S,11S)-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione (PubChem CID 102403088) has the molecular formula C13H18O3Si and a molecular weight of 250.37 g/mol. Its IUPAC name is (4S,7S,11S)-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione.

Molecular Properties

Compound Name(4S,7S,11S)-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione
PubChem CID102403088
Molecular FormulaC13H18O3Si
Molecular Weight250.37 g/mol
Exact Mass250.10
IUPAC Name(4S,7S,11S)-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione
SMILESC[Si](C)(C)C1=C2C(=O)C[C@@H]3CC[C@H](OC1=O)[C@H]23
InChIInChI=1S/C13H18O3Si/c1-17(2,3)12-11-8(14)6-7-4-5-9(10(7)11)16-13(12)15/h7,9-10H,4-6H2,1-3H3/t7-,9-,10+/m0/s1
InChIKeyWFYZSQRWGVWHQX-UJNFCWOMSA-N
XLogP2.08
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,7S,11S)-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione?
The IUPAC name of (4S,7S,11S)-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione (CID 102403088) is (4S,7S,11S)-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)-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione?
The canonical SMILES for (4S,7S,11S)-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione is C[Si](C)(C)C1=C2C(=O)C[C@@H]3CC[C@H](OC1=O)[C@H]23.
What is the InChIKey of (4S,7S,11S)-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione?
The InChIKey is WFYZSQRWGVWHQX-UJNFCWOMSA-N. The full InChI is InChI=1S/C13H18O3Si/c1-17(2,3)12-11-8(14)6-7-4-5-9(10(7)11)16-13(12)15/h7,9-10H,4-6H2,1-3H3/t7-,9-,10+/m0/s1.
What are the key properties of (4S,7S,11S)-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione?
(4S,7S,11S)-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione has a molecular weight of 250.37 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,7S,11S)-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione is sourced from PubChem (CID 102403088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).