(1S,6S,7R)-7-trimethylsilyloxybicyclo[4.4.1]undeca-2,4,8-trien-11-one

C14H20O2Si — CID 135004381

IUPAC(1S,6S,7R)-7-trimethylsilyloxybicyclo[4.4.1]undeca-2,4,8-trien-11-one
SMILESC[Si](C)(C)O[C@@H]1C=CC[C@H]2C=CC=C[C@@H]1C2=O
InChIInChI=1S/C14H20O2Si/c1-17(2,3)16-13-10-6-8-11-7-4-5-9-12(13)14(11)15/h4-7,9-13H,8H2,1-3H3/t11-,12+,13-/m1/s1
InChIKeyOCLOGJAPQHKNAR-FRRDWIJNSA-N
MW248.40 g/mol
LogP3.09
Rot. Bonds2

About (1S,6S,7R)-7-trimethylsilyloxybicyclo[4.4.1]undeca-2,4,8-trien-11-one

(1S,6S,7R)-7-trimethylsilyloxybicyclo[4.4.1]undeca-2,4,8-trien-11-one (PubChem CID 135004381) has the molecular formula C14H20O2Si and a molecular weight of 248.40 g/mol. Its IUPAC name is (1S,6S,7R)-7-trimethylsilyloxybicyclo[4.4.1]undeca-2,4,8-trien-11-one.

Molecular Properties

Compound Name(1S,6S,7R)-7-trimethylsilyloxybicyclo[4.4.1]undeca-2,4,8-trien-11-one
PubChem CID135004381
Molecular FormulaC14H20O2Si
Molecular Weight248.40 g/mol
Exact Mass248.12
IUPAC Name(1S,6S,7R)-7-trimethylsilyloxybicyclo[4.4.1]undeca-2,4,8-trien-11-one
SMILESC[Si](C)(C)O[C@@H]1C=CC[C@H]2C=CC=C[C@@H]1C2=O
InChIInChI=1S/C14H20O2Si/c1-17(2,3)16-13-10-6-8-11-7-4-5-9-12(13)14(11)15/h4-7,9-13H,8H2,1-3H3/t11-,12+,13-/m1/s1
InChIKeyOCLOGJAPQHKNAR-FRRDWIJNSA-N
XLogP3.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,6S,7R)-7-trimethylsilyloxybicyclo[4.4.1]undeca-2,4,8-trien-11-one?
The IUPAC name of (1S,6S,7R)-7-trimethylsilyloxybicyclo[4.4.1]undeca-2,4,8-trien-11-one (CID 135004381) is (1S,6S,7R)-7-trimethylsilyloxybicyclo[4.4.1]undeca-2,4,8-trien-11-one.
What is the SMILES notation for (1S,6S,7R)-7-trimethylsilyloxybicyclo[4.4.1]undeca-2,4,8-trien-11-one?
The canonical SMILES for (1S,6S,7R)-7-trimethylsilyloxybicyclo[4.4.1]undeca-2,4,8-trien-11-one is C[Si](C)(C)O[C@@H]1C=CC[C@H]2C=CC=C[C@@H]1C2=O.
What is the InChIKey of (1S,6S,7R)-7-trimethylsilyloxybicyclo[4.4.1]undeca-2,4,8-trien-11-one?
The InChIKey is OCLOGJAPQHKNAR-FRRDWIJNSA-N. The full InChI is InChI=1S/C14H20O2Si/c1-17(2,3)16-13-10-6-8-11-7-4-5-9-12(13)14(11)15/h4-7,9-13H,8H2,1-3H3/t11-,12+,13-/m1/s1.
What are the key properties of (1S,6S,7R)-7-trimethylsilyloxybicyclo[4.4.1]undeca-2,4,8-trien-11-one?
(1S,6S,7R)-7-trimethylsilyloxybicyclo[4.4.1]undeca-2,4,8-trien-11-one has a molecular weight of 248.40 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S,7R)-7-trimethylsilyloxybicyclo[4.4.1]undeca-2,4,8-trien-11-one is sourced from PubChem (CID 135004381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).