(1S,2R,5S,7S)-5-trimethylsilyloxytricyclo[5.3.0.02,5]decan-3-one

C13H22O2Si — CID 134874916

IUPAC(1S,2R,5S,7S)-5-trimethylsilyloxytricyclo[5.3.0.02,5]decan-3-one
SMILESC[Si](C)(C)O[C@@]12CC(=O)[C@@H]1[C@H]1CCC[C@H]1C2
InChIInChI=1S/C13H22O2Si/c1-16(2,3)15-13-7-9-5-4-6-10(9)12(13)11(14)8-13/h9-10,12H,4-8H2,1-3H3/t9-,10-,12-,13-/m0/s1
InChIKeyCWWQUBYAIIIIEG-UKJIMTQDSA-N
MW238.40 g/mol
LogP2.99
Rot. Bonds2

About (1S,2R,5S,7S)-5-trimethylsilyloxytricyclo[5.3.0.02,5]decan-3-one

(1S,2R,5S,7S)-5-trimethylsilyloxytricyclo[5.3.0.02,5]decan-3-one (PubChem CID 134874916) has the molecular formula C13H22O2Si and a molecular weight of 238.40 g/mol. Its IUPAC name is (1S,2R,5S,7S)-5-trimethylsilyloxytricyclo[5.3.0.02,5]decan-3-one.

Molecular Properties

Compound Name(1S,2R,5S,7S)-5-trimethylsilyloxytricyclo[5.3.0.02,5]decan-3-one
PubChem CID134874916
Molecular FormulaC13H22O2Si
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name(1S,2R,5S,7S)-5-trimethylsilyloxytricyclo[5.3.0.02,5]decan-3-one
SMILESC[Si](C)(C)O[C@@]12CC(=O)[C@@H]1[C@H]1CCC[C@H]1C2
InChIInChI=1S/C13H22O2Si/c1-16(2,3)15-13-7-9-5-4-6-10(9)12(13)11(14)8-13/h9-10,12H,4-8H2,1-3H3/t9-,10-,12-,13-/m0/s1
InChIKeyCWWQUBYAIIIIEG-UKJIMTQDSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (1S,2R,5S,7S)-5-trimethylsilyloxytricyclo[5.3.0.02,5]decan-3-one?
The IUPAC name of (1S,2R,5S,7S)-5-trimethylsilyloxytricyclo[5.3.0.02,5]decan-3-one (CID 134874916) is (1S,2R,5S,7S)-5-trimethylsilyloxytricyclo[5.3.0.02,5]decan-3-one.
What is the SMILES notation for (1S,2R,5S,7S)-5-trimethylsilyloxytricyclo[5.3.0.02,5]decan-3-one?
The canonical SMILES for (1S,2R,5S,7S)-5-trimethylsilyloxytricyclo[5.3.0.02,5]decan-3-one is C[Si](C)(C)O[C@@]12CC(=O)[C@@H]1[C@H]1CCC[C@H]1C2.
What is the InChIKey of (1S,2R,5S,7S)-5-trimethylsilyloxytricyclo[5.3.0.02,5]decan-3-one?
The InChIKey is CWWQUBYAIIIIEG-UKJIMTQDSA-N. The full InChI is InChI=1S/C13H22O2Si/c1-16(2,3)15-13-7-9-5-4-6-10(9)12(13)11(14)8-13/h9-10,12H,4-8H2,1-3H3/t9-,10-,12-,13-/m0/s1.
What are the key properties of (1S,2R,5S,7S)-5-trimethylsilyloxytricyclo[5.3.0.02,5]decan-3-one?
(1S,2R,5S,7S)-5-trimethylsilyloxytricyclo[5.3.0.02,5]decan-3-one has a molecular weight of 238.40 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S,7S)-5-trimethylsilyloxytricyclo[5.3.0.02,5]decan-3-one is sourced from PubChem (CID 134874916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).