bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-(methoxymethyl)-(oxolan-2-yl)silane

C24H44N2O2Si — CID 140844211

IUPACbis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-(methoxymethyl)-(oxolan-2-yl)silane
SMILESCOC[Si](C1CCCO1)(N1CCCC2CCCCC21)N1CCCC2CCCCC21
InChIInChI=1S/C24H44N2O2Si/c1-27-19-29(24-15-8-18-28-24,25-16-6-11-20-9-2-4-13-22(20)25)26-17-7-12-21-10-3-5-14-23(21)26/h20-24H,2-19H2,1H3
InChIKeyABWBLYRUFCWOGX-UHFFFAOYSA-N
MW420.71 g/mol
LogP4.64
Rot. Bonds5

About bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-(methoxymethyl)-(oxolan-2-yl)silane

bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-(methoxymethyl)-(oxolan-2-yl)silane (PubChem CID 140844211) has the molecular formula C24H44N2O2Si and a molecular weight of 420.71 g/mol. Its IUPAC name is bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-(methoxymethyl)-(oxolan-2-yl)silane.

Molecular Properties

Compound Namebis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-(methoxymethyl)-(oxolan-2-yl)silane
PubChem CID140844211
Molecular FormulaC24H44N2O2Si
Molecular Weight420.71 g/mol
Exact Mass420.32
IUPAC Namebis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-(methoxymethyl)-(oxolan-2-yl)silane
SMILESCOC[Si](C1CCCO1)(N1CCCC2CCCCC21)N1CCCC2CCCCC21
InChIInChI=1S/C24H44N2O2Si/c1-27-19-29(24-15-8-18-28-24,25-16-6-11-20-9-2-4-13-22(20)25)26-17-7-12-21-10-3-5-14-23(21)26/h20-24H,2-19H2,1H3
InChIKeyABWBLYRUFCWOGX-UHFFFAOYSA-N
XLogP4.64
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.71
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-(methoxymethyl)-(oxolan-2-yl)silane?
The IUPAC name of bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-(methoxymethyl)-(oxolan-2-yl)silane (CID 140844211) is bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-(methoxymethyl)-(oxolan-2-yl)silane.
What is the SMILES notation for bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-(methoxymethyl)-(oxolan-2-yl)silane?
The canonical SMILES for bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-(methoxymethyl)-(oxolan-2-yl)silane is COC[Si](C1CCCO1)(N1CCCC2CCCCC21)N1CCCC2CCCCC21.
What is the InChIKey of bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-(methoxymethyl)-(oxolan-2-yl)silane?
The InChIKey is ABWBLYRUFCWOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O2Si/c1-27-19-29(24-15-8-18-28-24,25-16-6-11-20-9-2-4-13-22(20)25)26-17-7-12-21-10-3-5-14-23(21)26/h20-24H,2-19H2,1H3.
What are the key properties of bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-(methoxymethyl)-(oxolan-2-yl)silane?
bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-(methoxymethyl)-(oxolan-2-yl)silane has a molecular weight of 420.71 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-(methoxymethyl)-(oxolan-2-yl)silane is sourced from PubChem (CID 140844211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).