(1S,5R,8R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4-(2-hydroxyethoxy)-8-methyltricyclo[6.3.0.01,5]undecan-6-one

C20H36O4Si — CID 11728333

IUPAC(1S,5R,8R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4-(2-hydroxyethoxy)-8-methyltricyclo[6.3.0.01,5]undecan-6-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]23CCC(OCCO)[C@@H]2C(=O)C[C@@]13C
InChIInChI=1S/C20H36O4Si/c1-18(2,3)25(5,6)24-16-8-10-20-9-7-15(23-12-11-21)17(20)14(22)13-19(16,20)4/h15-17,21H,7-13H2,1-6H3/t15?,16-,17-,19-,20-/m0/s1
InChIKeyOLAIQXBIDYANLI-PIMGDPROSA-N
MW368.59 g/mol
LogP3.92
Rot. Bonds5

About (1S,5R,8R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4-(2-hydroxyethoxy)-8-methyltricyclo[6.3.0.01,5]undecan-6-one

(1S,5R,8R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4-(2-hydroxyethoxy)-8-methyltricyclo[6.3.0.01,5]undecan-6-one (PubChem CID 11728333) has the molecular formula C20H36O4Si and a molecular weight of 368.59 g/mol. Its IUPAC name is (1S,5R,8R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4-(2-hydroxyethoxy)-8-methyltricyclo[6.3.0.01,5]undecan-6-one.

Molecular Properties

Compound Name(1S,5R,8R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4-(2-hydroxyethoxy)-8-methyltricyclo[6.3.0.01,5]undecan-6-one
PubChem CID11728333
Molecular FormulaC20H36O4Si
Molecular Weight368.59 g/mol
Exact Mass368.24
IUPAC Name(1S,5R,8R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4-(2-hydroxyethoxy)-8-methyltricyclo[6.3.0.01,5]undecan-6-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]23CCC(OCCO)[C@@H]2C(=O)C[C@@]13C
InChIInChI=1S/C20H36O4Si/c1-18(2,3)25(5,6)24-16-8-10-20-9-7-15(23-12-11-21)17(20)14(22)13-19(16,20)4/h15-17,21H,7-13H2,1-6H3/t15?,16-,17-,19-,20-/m0/s1
InChIKeyOLAIQXBIDYANLI-PIMGDPROSA-N
XLogP3.92
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.59
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1S,5R,8R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4-(2-hydroxyethoxy)-8-methyltricyclo[6.3.0.01,5]undecan-6-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,5R,8R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4-(2-hydroxyethoxy)-8-methyltricyclo[6.3.0.01,5]undecan-6-one?
The IUPAC name of (1S,5R,8R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4-(2-hydroxyethoxy)-8-methyltricyclo[6.3.0.01,5]undecan-6-one (CID 11728333) is (1S,5R,8R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4-(2-hydroxyethoxy)-8-methyltricyclo[6.3.0.01,5]undecan-6-one.
What is the SMILES notation for (1S,5R,8R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4-(2-hydroxyethoxy)-8-methyltricyclo[6.3.0.01,5]undecan-6-one?
The canonical SMILES for (1S,5R,8R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4-(2-hydroxyethoxy)-8-methyltricyclo[6.3.0.01,5]undecan-6-one is CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]23CCC(OCCO)[C@@H]2C(=O)C[C@@]13C.
What is the InChIKey of (1S,5R,8R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4-(2-hydroxyethoxy)-8-methyltricyclo[6.3.0.01,5]undecan-6-one?
The InChIKey is OLAIQXBIDYANLI-PIMGDPROSA-N. The full InChI is InChI=1S/C20H36O4Si/c1-18(2,3)25(5,6)24-16-8-10-20-9-7-15(23-12-11-21)17(20)14(22)13-19(16,20)4/h15-17,21H,7-13H2,1-6H3/t15?,16-,17-,19-,20-/m0/s1.
What are the key properties of (1S,5R,8R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4-(2-hydroxyethoxy)-8-methyltricyclo[6.3.0.01,5]undecan-6-one?
(1S,5R,8R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4-(2-hydroxyethoxy)-8-methyltricyclo[6.3.0.01,5]undecan-6-one has a molecular weight of 368.59 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,8R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4-(2-hydroxyethoxy)-8-methyltricyclo[6.3.0.01,5]undecan-6-one is sourced from PubChem (CID 11728333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).