[(2R,9aS)-3-methylidene-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-yl]oxy-triethylsilane

C16H31NOSi — CID 100937503

IUPAC[(2R,9aS)-3-methylidene-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-yl]oxy-triethylsilane
SMILESC=C1CN2CCCC[C@H]2C[C@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C16H31NOSi/c1-5-19(6-2,7-3)18-16-12-15-10-8-9-11-17(15)13-14(16)4/h15-16H,4-13H2,1-3H3/t15-,16+/m0/s1
InChIKeyWEYFWCUGBQAUKQ-JKSUJKDBSA-N
MW281.52 g/mol
LogP4.19
Rot. Bonds5

About [(2R,9aS)-3-methylidene-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-yl]oxy-triethylsilane

[(2R,9aS)-3-methylidene-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-yl]oxy-triethylsilane (PubChem CID 100937503) has the molecular formula C16H31NOSi and a molecular weight of 281.52 g/mol. Its IUPAC name is [(2R,9aS)-3-methylidene-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(2R,9aS)-3-methylidene-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-yl]oxy-triethylsilane
PubChem CID100937503
Molecular FormulaC16H31NOSi
Molecular Weight281.52 g/mol
Exact Mass281.22
IUPAC Name[(2R,9aS)-3-methylidene-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-yl]oxy-triethylsilane
SMILESC=C1CN2CCCC[C@H]2C[C@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C16H31NOSi/c1-5-19(6-2,7-3)18-16-12-15-10-8-9-11-17(15)13-14(16)4/h15-16H,4-13H2,1-3H3/t15-,16+/m0/s1
InChIKeyWEYFWCUGBQAUKQ-JKSUJKDBSA-N
XLogP4.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.52
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-[(2R,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]methyl]-trimethylsilane
CID 100937501
[(2S,9aS)-3-methylidene-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-yl]oxy-triethylsilane
CID 101066587
[(E)-[(2S,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]methyl]-trimethylsilane
CID 101066588
[(2R,3E,9aS)-3-heptylidene-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-yl]oxy-triethylsilane
CID 134999593
[(2S,3E,9aS)-3-heptylidene-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-yl]oxy-triethylsilane
CID 135000102
[(2E)-2-[(2R,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]ethyl]-trimethylsilane
CID 10499228
[(Z)-[(2R,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]methyl]-trimethylsilane
CID 177525299
[(Z)-[(2S,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]methyl]-trimethylsilane
CID 177543244

Frequently Asked Questions

What is the IUPAC name of [(2R,9aS)-3-methylidene-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-yl]oxy-triethylsilane?
The IUPAC name of [(2R,9aS)-3-methylidene-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-yl]oxy-triethylsilane (CID 100937503) is [(2R,9aS)-3-methylidene-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-yl]oxy-triethylsilane.
What is the SMILES notation for [(2R,9aS)-3-methylidene-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-yl]oxy-triethylsilane?
The canonical SMILES for [(2R,9aS)-3-methylidene-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-yl]oxy-triethylsilane is C=C1CN2CCCC[C@H]2C[C@H]1O[Si](CC)(CC)CC.
What is the InChIKey of [(2R,9aS)-3-methylidene-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-yl]oxy-triethylsilane?
The InChIKey is WEYFWCUGBQAUKQ-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H31NOSi/c1-5-19(6-2,7-3)18-16-12-15-10-8-9-11-17(15)13-14(16)4/h15-16H,4-13H2,1-3H3/t15-,16+/m0/s1.
What are the key properties of [(2R,9aS)-3-methylidene-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-yl]oxy-triethylsilane?
[(2R,9aS)-3-methylidene-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-yl]oxy-triethylsilane has a molecular weight of 281.52 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,9aS)-3-methylidene-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-yl]oxy-triethylsilane is sourced from PubChem (CID 100937503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).