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

C18H35NO3Si — CID 142737703

IUPAC8-ethenyl-2-ethyl-2-methoxy-6-(3-methoxypropyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine
SMILESC=CC1CCC2O[Si](CC)(OC)CCCN(CCCOC)C2C1
InChIInChI=1S/C18H35NO3Si/c1-5-16-9-10-18-17(15-16)19(11-7-13-20-3)12-8-14-23(6-2,21-4)22-18/h5,16-18H,1,6-15H2,2-4H3
InChIKeyZWIPJVPBZVFKDJ-UHFFFAOYSA-N
MW341.57 g/mol
LogP3.58
Rot. Bonds7

About 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

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 (PubChem CID 142737703) has the molecular formula C18H35NO3Si and a molecular weight of 341.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-ethenyl-2-ethyl-2-methoxy-6-(3-methoxypropyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine
PubChem CID142737703
Molecular FormulaC18H35NO3Si
Molecular Weight341.57 g/mol
Exact Mass341.24
IUPAC Name8-ethenyl-2-ethyl-2-methoxy-6-(3-methoxypropyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine
SMILESC=CC1CCC2O[Si](CC)(OC)CCCN(CCCOC)C2C1
InChIInChI=1S/C18H35NO3Si/c1-5-16-9-10-18-17(15-16)19(11-7-13-20-3)12-8-14-23(6-2,21-4)22-18/h5,16-18H,1,6-15H2,2-4H3
InChIKeyZWIPJVPBZVFKDJ-UHFFFAOYSA-N
XLogP3.58
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.57
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CC1CCC2O[Si](CC)(OC)CCCN(CCCOC)C2C1.
What is the InChIKey of 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?
The InChIKey is ZWIPJVPBZVFKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO3Si/c1-5-16-9-10-18-17(15-16)19(11-7-13-20-3)12-8-14-23(6-2,21-4)22-18/h5,16-18H,1,6-15H2,2-4H3.
What are the key properties of 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?
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 has a molecular weight of 341.57 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142737703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).