(1S,4R,6R,9S)-9-hydroxy-4,8,11,11-tetramethyl-6-triethylsilyloxybicyclo[5.3.1]undec-7-en-3-one

C21H38O3Si — CID 10872267

IUPAC(1S,4R,6R,9S)-9-hydroxy-4,8,11,11-tetramethyl-6-triethylsilyloxybicyclo[5.3.1]undec-7-en-3-one
SMILESCC[Si](CC)(CC)O[C@@H]1C[C@@H](C)C(=O)C[C@@H]2C[C@H](O)C(C)=C1C2(C)C
InChIInChI=1S/C21H38O3Si/c1-8-25(9-2,10-3)24-19-11-14(4)17(22)12-16-13-18(23)15(5)20(19)21(16,6)7/h14,16,18-19,23H,8-13H2,1-7H3/t14-,16-,18+,19-/m1/s1
InChIKeyQZVODNWYWVFLFL-SKWUIDRYSA-N
MW366.62 g/mol
LogP5.10
Rot. Bonds5

About (1S,4R,6R,9S)-9-hydroxy-4,8,11,11-tetramethyl-6-triethylsilyloxybicyclo[5.3.1]undec-7-en-3-one

(1S,4R,6R,9S)-9-hydroxy-4,8,11,11-tetramethyl-6-triethylsilyloxybicyclo[5.3.1]undec-7-en-3-one (PubChem CID 10872267) has the molecular formula C21H38O3Si and a molecular weight of 366.62 g/mol. Its IUPAC name is (1S,4R,6R,9S)-9-hydroxy-4,8,11,11-tetramethyl-6-triethylsilyloxybicyclo[5.3.1]undec-7-en-3-one.

Molecular Properties

Compound Name(1S,4R,6R,9S)-9-hydroxy-4,8,11,11-tetramethyl-6-triethylsilyloxybicyclo[5.3.1]undec-7-en-3-one
PubChem CID10872267
Molecular FormulaC21H38O3Si
Molecular Weight366.62 g/mol
Exact Mass366.26
IUPAC Name(1S,4R,6R,9S)-9-hydroxy-4,8,11,11-tetramethyl-6-triethylsilyloxybicyclo[5.3.1]undec-7-en-3-one
SMILESCC[Si](CC)(CC)O[C@@H]1C[C@@H](C)C(=O)C[C@@H]2C[C@H](O)C(C)=C1C2(C)C
InChIInChI=1S/C21H38O3Si/c1-8-25(9-2,10-3)24-19-11-14(4)17(22)12-16-13-18(23)15(5)20(19)21(16,6)7/h14,16,18-19,23H,8-13H2,1-7H3/t14-,16-,18+,19-/m1/s1
InChIKeyQZVODNWYWVFLFL-SKWUIDRYSA-N
XLogP5.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.62
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,4R,6R,9S)-9-hydroxy-4,8,11,11-tetramethyl-6-triethylsilyloxybicyclo[5.3.1]undec-7-en-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,4R,6R,9S)-9-hydroxy-4,8,11,11-tetramethyl-6-triethylsilyloxybicyclo[5.3.1]undec-7-en-3-one?
The IUPAC name of (1S,4R,6R,9S)-9-hydroxy-4,8,11,11-tetramethyl-6-triethylsilyloxybicyclo[5.3.1]undec-7-en-3-one (CID 10872267) is (1S,4R,6R,9S)-9-hydroxy-4,8,11,11-tetramethyl-6-triethylsilyloxybicyclo[5.3.1]undec-7-en-3-one.
What is the SMILES notation for (1S,4R,6R,9S)-9-hydroxy-4,8,11,11-tetramethyl-6-triethylsilyloxybicyclo[5.3.1]undec-7-en-3-one?
The canonical SMILES for (1S,4R,6R,9S)-9-hydroxy-4,8,11,11-tetramethyl-6-triethylsilyloxybicyclo[5.3.1]undec-7-en-3-one is CC[Si](CC)(CC)O[C@@H]1C[C@@H](C)C(=O)C[C@@H]2C[C@H](O)C(C)=C1C2(C)C.
What is the InChIKey of (1S,4R,6R,9S)-9-hydroxy-4,8,11,11-tetramethyl-6-triethylsilyloxybicyclo[5.3.1]undec-7-en-3-one?
The InChIKey is QZVODNWYWVFLFL-SKWUIDRYSA-N. The full InChI is InChI=1S/C21H38O3Si/c1-8-25(9-2,10-3)24-19-11-14(4)17(22)12-16-13-18(23)15(5)20(19)21(16,6)7/h14,16,18-19,23H,8-13H2,1-7H3/t14-,16-,18+,19-/m1/s1.
What are the key properties of (1S,4R,6R,9S)-9-hydroxy-4,8,11,11-tetramethyl-6-triethylsilyloxybicyclo[5.3.1]undec-7-en-3-one?
(1S,4R,6R,9S)-9-hydroxy-4,8,11,11-tetramethyl-6-triethylsilyloxybicyclo[5.3.1]undec-7-en-3-one has a molecular weight of 366.62 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,6R,9S)-9-hydroxy-4,8,11,11-tetramethyl-6-triethylsilyloxybicyclo[5.3.1]undec-7-en-3-one is sourced from PubChem (CID 10872267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).