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

C21H38O3Si — CID 70954635

IUPAC(6R)-9-hydroxy-4,8,11,11-tetramethyl-6-triethylsilyloxybicyclo[5.3.1]undec-7-en-3-one
SMILESCC[Si](CC)(CC)O[C@@H]1CC(C)C(=O)CC2CC(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-HBOFVWQASA-N
MW366.62 g/mol
LogP5.10
Rot. Bonds5

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

(6R)-9-hydroxy-4,8,11,11-tetramethyl-6-triethylsilyloxybicyclo[5.3.1]undec-7-en-3-one (PubChem CID 70954635) has the molecular formula C21H38O3Si and a molecular weight of 366.62 g/mol. Its IUPAC name is (6R)-9-hydroxy-4,8,11,11-tetramethyl-6-triethylsilyloxybicyclo[5.3.1]undec-7-en-3-one.

Molecular Properties

Compound Name(6R)-9-hydroxy-4,8,11,11-tetramethyl-6-triethylsilyloxybicyclo[5.3.1]undec-7-en-3-one
PubChem CID70954635
Molecular FormulaC21H38O3Si
Molecular Weight366.62 g/mol
Exact Mass366.26
IUPAC Name(6R)-9-hydroxy-4,8,11,11-tetramethyl-6-triethylsilyloxybicyclo[5.3.1]undec-7-en-3-one
SMILESCC[Si](CC)(CC)O[C@@H]1CC(C)C(=O)CC2CC(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-HBOFVWQASA-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'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-9-hydroxy-4,8,11,11-tetramethyl-6-triethylsilyloxybicyclo[5.3.1]undec-7-en-3-one?
The IUPAC name of (6R)-9-hydroxy-4,8,11,11-tetramethyl-6-triethylsilyloxybicyclo[5.3.1]undec-7-en-3-one (CID 70954635) is (6R)-9-hydroxy-4,8,11,11-tetramethyl-6-triethylsilyloxybicyclo[5.3.1]undec-7-en-3-one.
What is the SMILES notation for (6R)-9-hydroxy-4,8,11,11-tetramethyl-6-triethylsilyloxybicyclo[5.3.1]undec-7-en-3-one?
The canonical SMILES for (6R)-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]1CC(C)C(=O)CC2CC(O)C(C)=C1C2(C)C.
What is the InChIKey of (6R)-9-hydroxy-4,8,11,11-tetramethyl-6-triethylsilyloxybicyclo[5.3.1]undec-7-en-3-one?
The InChIKey is QZVODNWYWVFLFL-HBOFVWQASA-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 (6R)-9-hydroxy-4,8,11,11-tetramethyl-6-triethylsilyloxybicyclo[5.3.1]undec-7-en-3-one?
(6R)-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 (6R)-9-hydroxy-4,8,11,11-tetramethyl-6-triethylsilyloxybicyclo[5.3.1]undec-7-en-3-one is sourced from PubChem (CID 70954635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).