1-methoxy-3,7,10-tris(prop-2-enoxymethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane

C19H33NO7Si — CID 20682611

IUPAC1-methoxy-3,7,10-tris(prop-2-enoxymethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
SMILESC=CCOCC1CN2CC(COCC=C)O[Si](OC)(O1)OC(COCC=C)C2
InChIInChI=1S/C19H33NO7Si/c1-5-8-22-14-17-11-20-12-18(15-23-9-6-2)26-28(21-4,25-17)27-19(13-20)16-24-10-7-3/h5-7,17-19H,1-3,8-16H2,4H3
InChIKeyNIWZKWQNWNPZIF-UHFFFAOYSA-N
MW415.56 g/mol
LogP1.16
Rot. Bonds13

About 1-methoxy-3,7,10-tris(prop-2-enoxymethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane

1-methoxy-3,7,10-tris(prop-2-enoxymethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane (PubChem CID 20682611) has the molecular formula C19H33NO7Si and a molecular weight of 415.56 g/mol. Its IUPAC name is 1-methoxy-3,7,10-tris(prop-2-enoxymethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane.

Molecular Properties

Compound Name1-methoxy-3,7,10-tris(prop-2-enoxymethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
PubChem CID20682611
Molecular FormulaC19H33NO7Si
Molecular Weight415.56 g/mol
Exact Mass415.20
IUPAC Name1-methoxy-3,7,10-tris(prop-2-enoxymethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
SMILESC=CCOCC1CN2CC(COCC=C)O[Si](OC)(O1)OC(COCC=C)C2
InChIInChI=1S/C19H33NO7Si/c1-5-8-22-14-17-11-20-12-18(15-23-9-6-2)26-28(21-4,25-17)27-19(13-20)16-24-10-7-3/h5-7,17-19H,1-3,8-16H2,4H3
InChIKeyNIWZKWQNWNPZIF-UHFFFAOYSA-N
XLogP1.16
TPSA67.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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Related Compounds

methoxysilane;2-(prop-2-enoxymethyl)oxirane
CID 173273777
methoxyethene;2-(prop-2-enoxymethyl)oxirane
CID 174894893
bis(2-(prop-2-enoxymethyl)oxirane);hydrate
CID 87216937
ethene;2-methyloxirane;2-(prop-2-enoxymethyl)oxirane
CID 174606995
trimethoxy-[3-[(1-methoxy-7-methyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl)methoxy]propyl]silane
CID 18730818
1-tert-butyl-2-(prop-2-enoxymethyl)aziridine
CID 11686977
2-[2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolan-2-yl]ethanol
CID 66587930
2-chloro-3-methyloxirane;2-methyloxirane;2-(prop-2-enoxymethyl)oxirane
CID 174454485
2-(prop-2-enoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 13070592
2-(prop-2-enoxymethyl)oxirane;toluene
CID 174817749
triethoxy-[3-[(1-ethoxy-7,10-dimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl)methoxy]propyl]silane
CID 59936782
benzene;ethane;2-(ethoxymethyl)oxirane;3-ethoxyprop-1-ene;methoxymethane;propane
CID 90719944

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3,7,10-tris(prop-2-enoxymethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane?
The IUPAC name of 1-methoxy-3,7,10-tris(prop-2-enoxymethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane (CID 20682611) is 1-methoxy-3,7,10-tris(prop-2-enoxymethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane.
What is the SMILES notation for 1-methoxy-3,7,10-tris(prop-2-enoxymethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane?
The canonical SMILES for 1-methoxy-3,7,10-tris(prop-2-enoxymethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane is C=CCOCC1CN2CC(COCC=C)O[Si](OC)(O1)OC(COCC=C)C2.
What is the InChIKey of 1-methoxy-3,7,10-tris(prop-2-enoxymethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane?
The InChIKey is NIWZKWQNWNPZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO7Si/c1-5-8-22-14-17-11-20-12-18(15-23-9-6-2)26-28(21-4,25-17)27-19(13-20)16-24-10-7-3/h5-7,17-19H,1-3,8-16H2,4H3.
What are the key properties of 1-methoxy-3,7,10-tris(prop-2-enoxymethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane?
1-methoxy-3,7,10-tris(prop-2-enoxymethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane has a molecular weight of 415.56 g/mol, XLogP of 1.16, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3,7,10-tris(prop-2-enoxymethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane is sourced from PubChem (CID 20682611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).