(4R)-2,10-dihydroxy-4-trimethylsilylbicyclo[3.3.2]dec-2-en-9-one

C13H22O3Si — CID 134994749

IUPAC(4R)-2,10-dihydroxy-4-trimethylsilylbicyclo[3.3.2]dec-2-en-9-one
SMILESC[Si](C)(C)[C@H]1C=C(O)C2CCCC1C(O)C2=O
InChIInChI=1S/C13H22O3Si/c1-17(2,3)11-7-10(14)8-5-4-6-9(11)13(16)12(8)15/h7-9,11,13-14,16H,4-6H2,1-3H3/t8?,9?,11-,13?/m0/s1
InChIKeySDEOQPJCYANUPJ-HHYOKLNTSA-N
MW254.40 g/mol
LogP2.50
Rot. Bonds1

About (4R)-2,10-dihydroxy-4-trimethylsilylbicyclo[3.3.2]dec-2-en-9-one

(4R)-2,10-dihydroxy-4-trimethylsilylbicyclo[3.3.2]dec-2-en-9-one (PubChem CID 134994749) has the molecular formula C13H22O3Si and a molecular weight of 254.40 g/mol. Its IUPAC name is (4R)-2,10-dihydroxy-4-trimethylsilylbicyclo[3.3.2]dec-2-en-9-one.

Molecular Properties

Compound Name(4R)-2,10-dihydroxy-4-trimethylsilylbicyclo[3.3.2]dec-2-en-9-one
PubChem CID134994749
Molecular FormulaC13H22O3Si
Molecular Weight254.40 g/mol
Exact Mass254.13
IUPAC Name(4R)-2,10-dihydroxy-4-trimethylsilylbicyclo[3.3.2]dec-2-en-9-one
SMILESC[Si](C)(C)[C@H]1C=C(O)C2CCCC1C(O)C2=O
InChIInChI=1S/C13H22O3Si/c1-17(2,3)11-7-10(14)8-5-4-6-9(11)13(16)12(8)15/h7-9,11,13-14,16H,4-6H2,1-3H3/t8?,9?,11-,13?/m0/s1
InChIKeySDEOQPJCYANUPJ-HHYOKLNTSA-N
XLogP2.50
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
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 (4R)-2,10-dihydroxy-4-trimethylsilylbicyclo[3.3.2]dec-2-en-9-one?
The IUPAC name of (4R)-2,10-dihydroxy-4-trimethylsilylbicyclo[3.3.2]dec-2-en-9-one (CID 134994749) is (4R)-2,10-dihydroxy-4-trimethylsilylbicyclo[3.3.2]dec-2-en-9-one.
What is the SMILES notation for (4R)-2,10-dihydroxy-4-trimethylsilylbicyclo[3.3.2]dec-2-en-9-one?
The canonical SMILES for (4R)-2,10-dihydroxy-4-trimethylsilylbicyclo[3.3.2]dec-2-en-9-one is C[Si](C)(C)[C@H]1C=C(O)C2CCCC1C(O)C2=O.
What is the InChIKey of (4R)-2,10-dihydroxy-4-trimethylsilylbicyclo[3.3.2]dec-2-en-9-one?
The InChIKey is SDEOQPJCYANUPJ-HHYOKLNTSA-N. The full InChI is InChI=1S/C13H22O3Si/c1-17(2,3)11-7-10(14)8-5-4-6-9(11)13(16)12(8)15/h7-9,11,13-14,16H,4-6H2,1-3H3/t8?,9?,11-,13?/m0/s1.
What are the key properties of (4R)-2,10-dihydroxy-4-trimethylsilylbicyclo[3.3.2]dec-2-en-9-one?
(4R)-2,10-dihydroxy-4-trimethylsilylbicyclo[3.3.2]dec-2-en-9-one has a molecular weight of 254.40 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,10-dihydroxy-4-trimethylsilylbicyclo[3.3.2]dec-2-en-9-one is sourced from PubChem (CID 134994749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).