(1R,2R,6S,7S)-10-trimethylsilyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione

C12H18O3Si — CID 24767476

IUPAC(1R,2R,6S,7S)-10-trimethylsilyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESC[Si](C)(C)C1[C@H]2CC[C@@H]1[C@@H]1C(=O)OC(=O)[C@@H]12
InChIInChI=1S/C12H18O3Si/c1-16(2,3)10-6-4-5-7(10)9-8(6)11(13)15-12(9)14/h6-10H,4-5H2,1-3H3/t6-,7+,8+,9-,10?
InChIKeyMOVLCLCWEUBCKR-ZGHGJDBCSA-N
MW238.36 g/mol
LogP2.05
Rot. Bonds1

About (1R,2R,6S,7S)-10-trimethylsilyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione

(1R,2R,6S,7S)-10-trimethylsilyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione (PubChem CID 24767476) has the molecular formula C12H18O3Si and a molecular weight of 238.36 g/mol. Its IUPAC name is (1R,2R,6S,7S)-10-trimethylsilyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione.

Molecular Properties

Compound Name(1R,2R,6S,7S)-10-trimethylsilyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione
PubChem CID24767476
Molecular FormulaC12H18O3Si
Molecular Weight238.36 g/mol
Exact Mass238.10
IUPAC Name(1R,2R,6S,7S)-10-trimethylsilyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESC[Si](C)(C)C1[C@H]2CC[C@@H]1[C@@H]1C(=O)OC(=O)[C@@H]12
InChIInChI=1S/C12H18O3Si/c1-16(2,3)10-6-4-5-7(10)9-8(6)11(13)15-12(9)14/h6-10H,4-5H2,1-3H3/t6-,7+,8+,9-,10?
InChIKeyMOVLCLCWEUBCKR-ZGHGJDBCSA-N
XLogP2.05
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,6S,7S)-10-trimethylsilyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione?
The IUPAC name of (1R,2R,6S,7S)-10-trimethylsilyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione (CID 24767476) is (1R,2R,6S,7S)-10-trimethylsilyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione.
What is the SMILES notation for (1R,2R,6S,7S)-10-trimethylsilyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione?
The canonical SMILES for (1R,2R,6S,7S)-10-trimethylsilyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione is C[Si](C)(C)C1[C@H]2CC[C@@H]1[C@@H]1C(=O)OC(=O)[C@@H]12.
What is the InChIKey of (1R,2R,6S,7S)-10-trimethylsilyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione?
The InChIKey is MOVLCLCWEUBCKR-ZGHGJDBCSA-N. The full InChI is InChI=1S/C12H18O3Si/c1-16(2,3)10-6-4-5-7(10)9-8(6)11(13)15-12(9)14/h6-10H,4-5H2,1-3H3/t6-,7+,8+,9-,10?.
What are the key properties of (1R,2R,6S,7S)-10-trimethylsilyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione?
(1R,2R,6S,7S)-10-trimethylsilyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione has a molecular weight of 238.36 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6S,7S)-10-trimethylsilyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione is sourced from PubChem (CID 24767476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).