N-benzyl-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine

C11H23NO4Si4 — CID 150448302

IUPACN-benzyl-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine
SMILESC[SiH]1O[SiH](C)O[Si](C)(NCc2ccccc2)O[SiH](C)O1
InChIInChI=1S/C11H23NO4Si4/c1-17-13-18(2)15-20(4,16-19(3)14-17)12-10-11-8-6-5-7-9-11/h5-9,12,17-19H,10H2,1-4H3
InChIKeyHNFXAHSGAYCEGH-UHFFFAOYSA-N
MW345.65 g/mol
LogP0.98
Rot. Bonds3

About N-benzyl-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine

N-benzyl-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine (PubChem CID 150448302) has the molecular formula C11H23NO4Si4 and a molecular weight of 345.65 g/mol. Its IUPAC name is N-benzyl-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine.

Molecular Properties

Compound NameN-benzyl-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine
PubChem CID150448302
Molecular FormulaC11H23NO4Si4
Molecular Weight345.65 g/mol
Exact Mass345.07
IUPAC NameN-benzyl-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine
SMILESC[SiH]1O[SiH](C)O[Si](C)(NCc2ccccc2)O[SiH](C)O1
InChIInChI=1S/C11H23NO4Si4/c1-17-13-18(2)15-20(4,16-19(3)14-17)12-10-11-8-6-5-7-9-11/h5-9,12,17-19H,10H2,1-4H3
InChIKeyHNFXAHSGAYCEGH-UHFFFAOYSA-N
XLogP0.98
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.65
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine?
The IUPAC name of N-benzyl-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine (CID 150448302) is N-benzyl-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine.
What is the SMILES notation for N-benzyl-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine?
The canonical SMILES for N-benzyl-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine is C[SiH]1O[SiH](C)O[Si](C)(NCc2ccccc2)O[SiH](C)O1.
What is the InChIKey of N-benzyl-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine?
The InChIKey is HNFXAHSGAYCEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4Si4/c1-17-13-18(2)15-20(4,16-19(3)14-17)12-10-11-8-6-5-7-9-11/h5-9,12,17-19H,10H2,1-4H3.
What are the key properties of N-benzyl-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine?
N-benzyl-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine has a molecular weight of 345.65 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine is sourced from PubChem (CID 150448302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).