8-ethenyl-2,2-dimethoxy-6-(2-methoxyethyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine

C16H31NO4Si — CID 142737722

IUPAC8-ethenyl-2,2-dimethoxy-6-(2-methoxyethyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine
SMILESC=CC1CCC2O[Si](OC)(OC)CCCN(CCOC)C2C1
InChIInChI=1S/C16H31NO4Si/c1-5-14-7-8-16-15(13-14)17(10-11-18-2)9-6-12-22(19-3,20-4)21-16/h5,14-16H,1,6-13H2,2-4H3
InChIKeyVVCSGOTVNTZUGR-UHFFFAOYSA-N
MW329.51 g/mol
LogP2.31
Rot. Bonds6

About 8-ethenyl-2,2-dimethoxy-6-(2-methoxyethyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine

8-ethenyl-2,2-dimethoxy-6-(2-methoxyethyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine (PubChem CID 142737722) has the molecular formula C16H31NO4Si and a molecular weight of 329.51 g/mol. Its IUPAC name is 8-ethenyl-2,2-dimethoxy-6-(2-methoxyethyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine.

Molecular Properties

Compound Name8-ethenyl-2,2-dimethoxy-6-(2-methoxyethyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine
PubChem CID142737722
Molecular FormulaC16H31NO4Si
Molecular Weight329.51 g/mol
Exact Mass329.20
IUPAC Name8-ethenyl-2,2-dimethoxy-6-(2-methoxyethyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine
SMILESC=CC1CCC2O[Si](OC)(OC)CCCN(CCOC)C2C1
InChIInChI=1S/C16H31NO4Si/c1-5-14-7-8-16-15(13-14)17(10-11-18-2)9-6-12-22(19-3,20-4)21-16/h5,14-16H,1,6-13H2,2-4H3
InChIKeyVVCSGOTVNTZUGR-UHFFFAOYSA-N
XLogP2.31
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-ethenyl-2,2-dimethoxy-6-(2-methoxyethyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine 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 8-ethenyl-2,2-dimethoxy-6-(2-methoxyethyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine?
The IUPAC name of 8-ethenyl-2,2-dimethoxy-6-(2-methoxyethyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine (CID 142737722) is 8-ethenyl-2,2-dimethoxy-6-(2-methoxyethyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine.
What is the SMILES notation for 8-ethenyl-2,2-dimethoxy-6-(2-methoxyethyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine?
The canonical SMILES for 8-ethenyl-2,2-dimethoxy-6-(2-methoxyethyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine is C=CC1CCC2O[Si](OC)(OC)CCCN(CCOC)C2C1.
What is the InChIKey of 8-ethenyl-2,2-dimethoxy-6-(2-methoxyethyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine?
The InChIKey is VVCSGOTVNTZUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO4Si/c1-5-14-7-8-16-15(13-14)17(10-11-18-2)9-6-12-22(19-3,20-4)21-16/h5,14-16H,1,6-13H2,2-4H3.
What are the key properties of 8-ethenyl-2,2-dimethoxy-6-(2-methoxyethyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine?
8-ethenyl-2,2-dimethoxy-6-(2-methoxyethyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine has a molecular weight of 329.51 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenyl-2,2-dimethoxy-6-(2-methoxyethyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine is sourced from PubChem (CID 142737722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).