(4R)-2-hydroxy-4-trimethylsilylbicyclo[3.3.2]dec-2-en-9-one

C13H22O2Si — CID 134885216

IUPAC(4R)-2-hydroxy-4-trimethylsilylbicyclo[3.3.2]dec-2-en-9-one
SMILESC[Si](C)(C)[C@H]1C=C(O)C2CCCC1CC2=O
InChIInChI=1S/C13H22O2Si/c1-16(2,3)13-8-12(15)10-6-4-5-9(13)7-11(10)14/h8-10,13,15H,4-7H2,1-3H3/t9?,10?,13-/m0/s1
InChIKeyHYAQHTQXUMYDHF-ZPPKWKGLSA-N
MW238.40 g/mol
LogP3.53
Rot. Bonds1

About (4R)-2-hydroxy-4-trimethylsilylbicyclo[3.3.2]dec-2-en-9-one

(4R)-2-hydroxy-4-trimethylsilylbicyclo[3.3.2]dec-2-en-9-one (PubChem CID 134885216) has the molecular formula C13H22O2Si and a molecular weight of 238.40 g/mol. Its IUPAC name is (4R)-2-hydroxy-4-trimethylsilylbicyclo[3.3.2]dec-2-en-9-one.

Molecular Properties

Compound Name(4R)-2-hydroxy-4-trimethylsilylbicyclo[3.3.2]dec-2-en-9-one
PubChem CID134885216
Molecular FormulaC13H22O2Si
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name(4R)-2-hydroxy-4-trimethylsilylbicyclo[3.3.2]dec-2-en-9-one
SMILESC[Si](C)(C)[C@H]1C=C(O)C2CCCC1CC2=O
InChIInChI=1S/C13H22O2Si/c1-16(2,3)13-8-12(15)10-6-4-5-9(13)7-11(10)14/h8-10,13,15H,4-7H2,1-3H3/t9?,10?,13-/m0/s1
InChIKeyHYAQHTQXUMYDHF-ZPPKWKGLSA-N
XLogP3.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
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 (4R)-2-hydroxy-4-trimethylsilylbicyclo[3.3.2]dec-2-en-9-one?
The IUPAC name of (4R)-2-hydroxy-4-trimethylsilylbicyclo[3.3.2]dec-2-en-9-one (CID 134885216) is (4R)-2-hydroxy-4-trimethylsilylbicyclo[3.3.2]dec-2-en-9-one.
What is the SMILES notation for (4R)-2-hydroxy-4-trimethylsilylbicyclo[3.3.2]dec-2-en-9-one?
The canonical SMILES for (4R)-2-hydroxy-4-trimethylsilylbicyclo[3.3.2]dec-2-en-9-one is C[Si](C)(C)[C@H]1C=C(O)C2CCCC1CC2=O.
What is the InChIKey of (4R)-2-hydroxy-4-trimethylsilylbicyclo[3.3.2]dec-2-en-9-one?
The InChIKey is HYAQHTQXUMYDHF-ZPPKWKGLSA-N. The full InChI is InChI=1S/C13H22O2Si/c1-16(2,3)13-8-12(15)10-6-4-5-9(13)7-11(10)14/h8-10,13,15H,4-7H2,1-3H3/t9?,10?,13-/m0/s1.
What are the key properties of (4R)-2-hydroxy-4-trimethylsilylbicyclo[3.3.2]dec-2-en-9-one?
(4R)-2-hydroxy-4-trimethylsilylbicyclo[3.3.2]dec-2-en-9-one has a molecular weight of 238.40 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-hydroxy-4-trimethylsilylbicyclo[3.3.2]dec-2-en-9-one is sourced from PubChem (CID 134885216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).