3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-dimethoxy-(5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)silane

C21H40N2O2Si — CID 141083178

IUPAC3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-dimethoxy-(5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)silane
SMILESCO[Si](OC)(N1CCCC2CCCCC21)N1CCCC2C(C)CCCC21
InChIInChI=1S/C21H40N2O2Si/c1-17-9-6-14-21-19(17)12-8-16-23(21)26(24-2,25-3)22-15-7-11-18-10-4-5-13-20(18)22/h17-21H,4-16H2,1-3H3
InChIKeyYZPOCFYAKXQYLQ-UHFFFAOYSA-N
MW380.65 g/mol
LogP4.27
Rot. Bonds4

About 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-dimethoxy-(5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)silane

3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-dimethoxy-(5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)silane (PubChem CID 141083178) has the molecular formula C21H40N2O2Si and a molecular weight of 380.65 g/mol. Its IUPAC name is 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-dimethoxy-(5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)silane.

Molecular Properties

Compound Name3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-dimethoxy-(5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)silane
PubChem CID141083178
Molecular FormulaC21H40N2O2Si
Molecular Weight380.65 g/mol
Exact Mass380.29
IUPAC Name3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-dimethoxy-(5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)silane
SMILESCO[Si](OC)(N1CCCC2CCCCC21)N1CCCC2C(C)CCCC21
InChIInChI=1S/C21H40N2O2Si/c1-17-9-6-14-21-19(17)12-8-16-23(21)26(24-2,25-3)22-15-7-11-18-10-4-5-13-20(18)22/h17-21H,4-16H2,1-3H3
InChIKeyYZPOCFYAKXQYLQ-UHFFFAOYSA-N
XLogP4.27
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.65
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-dimethoxy-(5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)silane with MolForge

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Related Compounds

bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-dimethoxysilane
CID 10959523
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-dimethoxysilane;bis(2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridin-10-yl)-dimethoxysilane;bis(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-dimethoxysilane;dimethoxy-bis(3-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)silane;dimethoxy-bis(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)silane;dimethoxy-bis(5-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)silane;dimethoxy-bis(6-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)silane
CID 159912779
(1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 6427449
(2S)-1-cyclopentyl-2-methylcyclopentane
CID 140885757
1-cyclobutyl-2-methylcyclohexane
CID 146763407
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-dimethoxy-(3,3,3-trifluoropropyl)silane
CID 54096657
pentakis(1-cyclopentyl-2-methylcyclopentane);methane
CID 162268906
1-methyl-2-(2-methylcyclooctyl)azocane
CID 90987666
bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-(methoxymethyl)-(oxolan-2-yl)silane
CID 140844211
(1R)-1-cyclobutyl-4-(2-methylcyclohexyl)cycloheptane
CID 163683133
cis-(1S,2R)-1-methyl-2-[(1R)-2-methylcyclopentyl]cyclopentane
CID 91373089
dimethoxy-(7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-propan-2-ylsilane
CID 141083184

Frequently Asked Questions

What is the IUPAC name of 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-dimethoxy-(5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)silane?
The IUPAC name of 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-dimethoxy-(5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)silane (CID 141083178) is 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-dimethoxy-(5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)silane.
What is the SMILES notation for 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-dimethoxy-(5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)silane?
The canonical SMILES for 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-dimethoxy-(5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)silane is CO[Si](OC)(N1CCCC2CCCCC21)N1CCCC2C(C)CCCC21.
What is the InChIKey of 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-dimethoxy-(5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)silane?
The InChIKey is YZPOCFYAKXQYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O2Si/c1-17-9-6-14-21-19(17)12-8-16-23(21)26(24-2,25-3)22-15-7-11-18-10-4-5-13-20(18)22/h17-21H,4-16H2,1-3H3.
What are the key properties of 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-dimethoxy-(5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)silane?
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-dimethoxy-(5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)silane has a molecular weight of 380.65 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-dimethoxy-(5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)silane is sourced from PubChem (CID 141083178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).