(6Z,8aR,9S,10R,11aS)-9-[3-[tert-butyl(dimethyl)silyl]oxydecyl]-10-methyl-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one

C29H54O3Si — CID 149406360

IUPAC(6Z,8aR,9S,10R,11aS)-9-[3-[tert-butyl(dimethyl)silyl]oxydecyl]-10-methyl-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one
SMILESCCCCCCCC(CC[C@@H]1[C@H]2C/C=C\CCCC(=O)O[C@H]2C[C@H]1C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H54O3Si/c1-8-9-10-11-14-17-24(32-33(6,7)29(3,4)5)20-21-25-23(2)22-27-26(25)18-15-12-13-16-19-28(30)31-27/h12,15,23-27H,8-11,13-14,16-22H2,1-7H3/b15-12-/t23-,24?,25+,26-,27+/m1/s1
InChIKeyYQJIQCKXCCCLJN-JIKSQGCVSA-N
MW478.83 g/mol
LogP8.83
Rot. Bonds11

About (6Z,8aR,9S,10R,11aS)-9-[3-[tert-butyl(dimethyl)silyl]oxydecyl]-10-methyl-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one

(6Z,8aR,9S,10R,11aS)-9-[3-[tert-butyl(dimethyl)silyl]oxydecyl]-10-methyl-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one (PubChem CID 149406360) has the molecular formula C29H54O3Si and a molecular weight of 478.83 g/mol. Its IUPAC name is (6Z,8aR,9S,10R,11aS)-9-[3-[tert-butyl(dimethyl)silyl]oxydecyl]-10-methyl-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one.

Molecular Properties

Compound Name(6Z,8aR,9S,10R,11aS)-9-[3-[tert-butyl(dimethyl)silyl]oxydecyl]-10-methyl-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one
PubChem CID149406360
Molecular FormulaC29H54O3Si
Molecular Weight478.83 g/mol
Exact Mass478.38
IUPAC Name(6Z,8aR,9S,10R,11aS)-9-[3-[tert-butyl(dimethyl)silyl]oxydecyl]-10-methyl-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one
SMILESCCCCCCCC(CC[C@@H]1[C@H]2C/C=C\CCCC(=O)O[C@H]2C[C@H]1C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H54O3Si/c1-8-9-10-11-14-17-24(32-33(6,7)29(3,4)5)20-21-25-23(2)22-27-26(25)18-15-12-13-16-19-28(30)31-27/h12,15,23-27H,8-11,13-14,16-22H2,1-7H3/b15-12-/t23-,24?,25+,26-,27+/m1/s1
InChIKeyYQJIQCKXCCCLJN-JIKSQGCVSA-N
XLogP8.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.83
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6Z,8aR,9S,10R,11aS)-9-[3-[tert-butyl(dimethyl)silyl]oxydecyl]-10-methyl-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-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 (6Z,8aR,9S,10R,11aS)-9-[3-[tert-butyl(dimethyl)silyl]oxydecyl]-10-methyl-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one?
The IUPAC name of (6Z,8aR,9S,10R,11aS)-9-[3-[tert-butyl(dimethyl)silyl]oxydecyl]-10-methyl-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one (CID 149406360) is (6Z,8aR,9S,10R,11aS)-9-[3-[tert-butyl(dimethyl)silyl]oxydecyl]-10-methyl-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one.
What is the SMILES notation for (6Z,8aR,9S,10R,11aS)-9-[3-[tert-butyl(dimethyl)silyl]oxydecyl]-10-methyl-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one?
The canonical SMILES for (6Z,8aR,9S,10R,11aS)-9-[3-[tert-butyl(dimethyl)silyl]oxydecyl]-10-methyl-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one is CCCCCCCC(CC[C@@H]1[C@H]2C/C=C\CCCC(=O)O[C@H]2C[C@H]1C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (6Z,8aR,9S,10R,11aS)-9-[3-[tert-butyl(dimethyl)silyl]oxydecyl]-10-methyl-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one?
The InChIKey is YQJIQCKXCCCLJN-JIKSQGCVSA-N. The full InChI is InChI=1S/C29H54O3Si/c1-8-9-10-11-14-17-24(32-33(6,7)29(3,4)5)20-21-25-23(2)22-27-26(25)18-15-12-13-16-19-28(30)31-27/h12,15,23-27H,8-11,13-14,16-22H2,1-7H3/b15-12-/t23-,24?,25+,26-,27+/m1/s1.
What are the key properties of (6Z,8aR,9S,10R,11aS)-9-[3-[tert-butyl(dimethyl)silyl]oxydecyl]-10-methyl-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one?
(6Z,8aR,9S,10R,11aS)-9-[3-[tert-butyl(dimethyl)silyl]oxydecyl]-10-methyl-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one has a molecular weight of 478.83 g/mol, XLogP of 8.83, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8aR,9S,10R,11aS)-9-[3-[tert-butyl(dimethyl)silyl]oxydecyl]-10-methyl-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one is sourced from PubChem (CID 149406360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).