(1S)-1-[(2R,3aS,5R,6R,8Z,10aS)-5-ethyl-6-triethylsilyloxy-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin-2-yl]ethane-1,2-diol

C20H38O5Si — CID 11246165

IUPAC(1S)-1-[(2R,3aS,5R,6R,8Z,10aS)-5-ethyl-6-triethylsilyloxy-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin-2-yl]ethane-1,2-diol
SMILESCC[C@H]1O[C@H]2C[C@H]([C@@H](O)CO)O[C@H]2C/C=C\C[C@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C20H38O5Si/c1-5-16-18(25-26(6-2,7-3)8-4)12-10-9-11-17-20(23-16)13-19(24-17)15(22)14-21/h9-10,15-22H,5-8,11-14H2,1-4H3/b10-9-/t15-,16+,17-,18+,19+,20-/m0/s1
InChIKeyRVTHIJCMIOCXOB-OUJBKKIGSA-N
MW386.61 g/mol
LogP3.40
Rot. Bonds8

About (1S)-1-[(2R,3aS,5R,6R,8Z,10aS)-5-ethyl-6-triethylsilyloxy-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin-2-yl]ethane-1,2-diol

(1S)-1-[(2R,3aS,5R,6R,8Z,10aS)-5-ethyl-6-triethylsilyloxy-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin-2-yl]ethane-1,2-diol (PubChem CID 11246165) has the molecular formula C20H38O5Si and a molecular weight of 386.61 g/mol. Its IUPAC name is (1S)-1-[(2R,3aS,5R,6R,8Z,10aS)-5-ethyl-6-triethylsilyloxy-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1S)-1-[(2R,3aS,5R,6R,8Z,10aS)-5-ethyl-6-triethylsilyloxy-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin-2-yl]ethane-1,2-diol
PubChem CID11246165
Molecular FormulaC20H38O5Si
Molecular Weight386.61 g/mol
Exact Mass386.25
IUPAC Name(1S)-1-[(2R,3aS,5R,6R,8Z,10aS)-5-ethyl-6-triethylsilyloxy-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin-2-yl]ethane-1,2-diol
SMILESCC[C@H]1O[C@H]2C[C@H]([C@@H](O)CO)O[C@H]2C/C=C\C[C@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C20H38O5Si/c1-5-16-18(25-26(6-2,7-3)8-4)12-10-9-11-17-20(23-16)13-19(24-17)15(22)14-21/h9-10,15-22H,5-8,11-14H2,1-4H3/b10-9-/t15-,16+,17-,18+,19+,20-/m0/s1
InChIKeyRVTHIJCMIOCXOB-OUJBKKIGSA-N
XLogP3.40
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.61
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1S)-1-[(2R,3aS,5R,6R,8Z,10aS)-5-ethyl-6-triethylsilyloxy-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin-2-yl]ethane-1,2-diol 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)-1-[(2R,3aS,5R,6R,8Z,10aS)-5-ethyl-6-triethylsilyloxy-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin-2-yl]ethane-1,2-diol?
The IUPAC name of (1S)-1-[(2R,3aS,5R,6R,8Z,10aS)-5-ethyl-6-triethylsilyloxy-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin-2-yl]ethane-1,2-diol (CID 11246165) is (1S)-1-[(2R,3aS,5R,6R,8Z,10aS)-5-ethyl-6-triethylsilyloxy-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin-2-yl]ethane-1,2-diol.
What is the SMILES notation for (1S)-1-[(2R,3aS,5R,6R,8Z,10aS)-5-ethyl-6-triethylsilyloxy-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin-2-yl]ethane-1,2-diol?
The canonical SMILES for (1S)-1-[(2R,3aS,5R,6R,8Z,10aS)-5-ethyl-6-triethylsilyloxy-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin-2-yl]ethane-1,2-diol is CC[C@H]1O[C@H]2C[C@H]([C@@H](O)CO)O[C@H]2C/C=C\C[C@H]1O[Si](CC)(CC)CC.
What is the InChIKey of (1S)-1-[(2R,3aS,5R,6R,8Z,10aS)-5-ethyl-6-triethylsilyloxy-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin-2-yl]ethane-1,2-diol?
The InChIKey is RVTHIJCMIOCXOB-OUJBKKIGSA-N. The full InChI is InChI=1S/C20H38O5Si/c1-5-16-18(25-26(6-2,7-3)8-4)12-10-9-11-17-20(23-16)13-19(24-17)15(22)14-21/h9-10,15-22H,5-8,11-14H2,1-4H3/b10-9-/t15-,16+,17-,18+,19+,20-/m0/s1.
What are the key properties of (1S)-1-[(2R,3aS,5R,6R,8Z,10aS)-5-ethyl-6-triethylsilyloxy-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin-2-yl]ethane-1,2-diol?
(1S)-1-[(2R,3aS,5R,6R,8Z,10aS)-5-ethyl-6-triethylsilyloxy-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin-2-yl]ethane-1,2-diol has a molecular weight of 386.61 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R,3aS,5R,6R,8Z,10aS)-5-ethyl-6-triethylsilyloxy-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin-2-yl]ethane-1,2-diol is sourced from PubChem (CID 11246165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).