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

C17H33NO4Si — CID 142737743

IUPAC8-ethenyl-6-(2-ethoxyethyl)-2,2-dimethoxy-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine
SMILESC=CC1CCC2O[Si](OC)(OC)CCCN(CCOCC)C2C1
InChIInChI=1S/C17H33NO4Si/c1-5-15-8-9-17-16(14-15)18(11-12-21-6-2)10-7-13-23(19-3,20-4)22-17/h5,15-17H,1,6-14H2,2-4H3
InChIKeyWXCUODXLBUQAHD-UHFFFAOYSA-N
MW343.54 g/mol
LogP2.70
Rot. Bonds7

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

8-ethenyl-6-(2-ethoxyethyl)-2,2-dimethoxy-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine (PubChem CID 142737743) has the molecular formula C17H33NO4Si and a molecular weight of 343.54 g/mol. Its IUPAC name is 8-ethenyl-6-(2-ethoxyethyl)-2,2-dimethoxy-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine.

Molecular Properties

Compound Name8-ethenyl-6-(2-ethoxyethyl)-2,2-dimethoxy-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine
PubChem CID142737743
Molecular FormulaC17H33NO4Si
Molecular Weight343.54 g/mol
Exact Mass343.22
IUPAC Name8-ethenyl-6-(2-ethoxyethyl)-2,2-dimethoxy-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine
SMILESC=CC1CCC2O[Si](OC)(OC)CCCN(CCOCC)C2C1
InChIInChI=1S/C17H33NO4Si/c1-5-15-8-9-17-16(14-15)18(11-12-21-6-2)10-7-13-23(19-3,20-4)22-17/h5,15-17H,1,6-14H2,2-4H3
InChIKeyWXCUODXLBUQAHD-UHFFFAOYSA-N
XLogP2.70
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.54
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

8-ethenyl-2-ethyl-2-methoxy-6-(3-methoxypropyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine
CID 142737703
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
8-ethenyl-2,2-dimethoxy-6-(3-methoxypropyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine
CID 142737731
2,2-dibutoxy-8-ethenyl-6-(2-ethoxyethyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine
CID 142737739
8-ethenyl-6-(3-methoxypropyl)-2,2-dipropoxy-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine
CID 142737766

Frequently Asked Questions

What is the IUPAC name of 8-ethenyl-6-(2-ethoxyethyl)-2,2-dimethoxy-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine?
The IUPAC name of 8-ethenyl-6-(2-ethoxyethyl)-2,2-dimethoxy-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine (CID 142737743) is 8-ethenyl-6-(2-ethoxyethyl)-2,2-dimethoxy-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine.
What is the SMILES notation for 8-ethenyl-6-(2-ethoxyethyl)-2,2-dimethoxy-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine?
The canonical SMILES for 8-ethenyl-6-(2-ethoxyethyl)-2,2-dimethoxy-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine is C=CC1CCC2O[Si](OC)(OC)CCCN(CCOCC)C2C1.
What is the InChIKey of 8-ethenyl-6-(2-ethoxyethyl)-2,2-dimethoxy-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine?
The InChIKey is WXCUODXLBUQAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO4Si/c1-5-15-8-9-17-16(14-15)18(11-12-21-6-2)10-7-13-23(19-3,20-4)22-17/h5,15-17H,1,6-14H2,2-4H3.
What are the key properties of 8-ethenyl-6-(2-ethoxyethyl)-2,2-dimethoxy-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine?
8-ethenyl-6-(2-ethoxyethyl)-2,2-dimethoxy-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine has a molecular weight of 343.54 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenyl-6-(2-ethoxyethyl)-2,2-dimethoxy-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine is sourced from PubChem (CID 142737743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).