(8-ethyl-1,4,6,9-tetraoxa-5-silaspiro[4.4]nonan-3-yl)methanamine

C7H15NO4Si — CID 158864031

IUPAC(8-ethyl-1,4,6,9-tetraoxa-5-silaspiro[4.4]nonan-3-yl)methanamine
SMILESCCC1CO[Si]2(OCC(CN)O2)O1
InChIInChI=1S/C7H15NO4Si/c1-2-6-4-9-13(11-6)10-5-7(3-8)12-13/h6-7H,2-5,8H2,1H3
InChIKeyYYSIZWGTZANLRM-UHFFFAOYSA-N
MW205.29 g/mol
LogP-0.38
Rot. Bonds2

About (8-ethyl-1,4,6,9-tetraoxa-5-silaspiro[4.4]nonan-3-yl)methanamine

(8-ethyl-1,4,6,9-tetraoxa-5-silaspiro[4.4]nonan-3-yl)methanamine (PubChem CID 158864031) has the molecular formula C7H15NO4Si and a molecular weight of 205.29 g/mol. Its IUPAC name is (8-ethyl-1,4,6,9-tetraoxa-5-silaspiro[4.4]nonan-3-yl)methanamine.

Molecular Properties

Compound Name(8-ethyl-1,4,6,9-tetraoxa-5-silaspiro[4.4]nonan-3-yl)methanamine
PubChem CID158864031
Molecular FormulaC7H15NO4Si
Molecular Weight205.29 g/mol
Exact Mass205.08
IUPAC Name(8-ethyl-1,4,6,9-tetraoxa-5-silaspiro[4.4]nonan-3-yl)methanamine
SMILESCCC1CO[Si]2(OCC(CN)O2)O1
InChIInChI=1S/C7H15NO4Si/c1-2-6-4-9-13(11-6)10-5-7(3-8)12-13/h6-7H,2-5,8H2,1H3
InChIKeyYYSIZWGTZANLRM-UHFFFAOYSA-N
XLogP-0.38
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8-ethyl-1,4,6,9-tetraoxa-5-silaspiro[4.4]nonan-3-yl)methanamine?
The IUPAC name of (8-ethyl-1,4,6,9-tetraoxa-5-silaspiro[4.4]nonan-3-yl)methanamine (CID 158864031) is (8-ethyl-1,4,6,9-tetraoxa-5-silaspiro[4.4]nonan-3-yl)methanamine.
What is the SMILES notation for (8-ethyl-1,4,6,9-tetraoxa-5-silaspiro[4.4]nonan-3-yl)methanamine?
The canonical SMILES for (8-ethyl-1,4,6,9-tetraoxa-5-silaspiro[4.4]nonan-3-yl)methanamine is CCC1CO[Si]2(OCC(CN)O2)O1.
What is the InChIKey of (8-ethyl-1,4,6,9-tetraoxa-5-silaspiro[4.4]nonan-3-yl)methanamine?
The InChIKey is YYSIZWGTZANLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4Si/c1-2-6-4-9-13(11-6)10-5-7(3-8)12-13/h6-7H,2-5,8H2,1H3.
What are the key properties of (8-ethyl-1,4,6,9-tetraoxa-5-silaspiro[4.4]nonan-3-yl)methanamine?
(8-ethyl-1,4,6,9-tetraoxa-5-silaspiro[4.4]nonan-3-yl)methanamine has a molecular weight of 205.29 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-ethyl-1,4,6,9-tetraoxa-5-silaspiro[4.4]nonan-3-yl)methanamine is sourced from PubChem (CID 158864031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).