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

C12H25NO2Si — CID 151967650

IUPACdimethoxy-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-isoquinolin-1-yl)silane
SMILESCO[SiH](OC)C1(C)NCCC2CCCCC21
InChIInChI=1S/C12H25NO2Si/c1-12(16(14-2)15-3)11-7-5-4-6-10(11)8-9-13-12/h10-11,13,16H,4-9H2,1-3H3
InChIKeyTZZQWKSZXMHEFD-UHFFFAOYSA-N
MW243.42 g/mol
LogP1.60
Rot. Bonds3

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

dimethoxy-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-isoquinolin-1-yl)silane (PubChem CID 151967650) has the molecular formula C12H25NO2Si and a molecular weight of 243.42 g/mol. Its IUPAC name is dimethoxy-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-isoquinolin-1-yl)silane.

Molecular Properties

Compound Namedimethoxy-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-isoquinolin-1-yl)silane
PubChem CID151967650
Molecular FormulaC12H25NO2Si
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Namedimethoxy-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-isoquinolin-1-yl)silane
SMILESCO[SiH](OC)C1(C)NCCC2CCCCC21
InChIInChI=1S/C12H25NO2Si/c1-12(16(14-2)15-3)11-7-5-4-6-10(11)8-9-13-12/h10-11,13,16H,4-9H2,1-3H3
InChIKeyTZZQWKSZXMHEFD-UHFFFAOYSA-N
XLogP1.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,2-dimethylcyclopropyl)cyclopentane
CID 90922823
methyl 1-methyl-2,3,3a,4,5,6,7,7a-octahydroisoindole-1-carboxylate
CID 86587087
(1,2-dimethylcyclohexyl)-dimethoxysilane
CID 175184355
[(1R,7R,8S)-8-methyl-8-bicyclo[5.2.0]nonanyl]methanamine
CID 70639150
[(1S,7S,8S)-8-methyl-8-bicyclo[5.2.0]nonanyl]methanamine
CID 70639186
7-cyclobutyl-4-azaspiro[2.4]heptane
CID 105429635
(2R)-2-cyclopentyl-3,3-dimethylmorpholine
CID 129497605
8,8-bis(methoxymethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
CID 19105347
7-fluoro-8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
CID 22156449
[(1R,6R)-7-methoxy-7-bicyclo[4.2.0]octanyl]methanamine
CID 178199643
1,2-dicyclohexyl-1-methylcyclohexane
CID 173420914
3-cyclopentyl-4-(2-methoxy-2-methylpropyl)-4-methylpiperidine
CID 112570898

Frequently Asked Questions

What is the IUPAC name of dimethoxy-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-isoquinolin-1-yl)silane?
The IUPAC name of dimethoxy-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-isoquinolin-1-yl)silane (CID 151967650) is dimethoxy-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-isoquinolin-1-yl)silane.
What is the SMILES notation for dimethoxy-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-isoquinolin-1-yl)silane?
The canonical SMILES for dimethoxy-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-isoquinolin-1-yl)silane is CO[SiH](OC)C1(C)NCCC2CCCCC21.
What is the InChIKey of dimethoxy-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-isoquinolin-1-yl)silane?
The InChIKey is TZZQWKSZXMHEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2Si/c1-12(16(14-2)15-3)11-7-5-4-6-10(11)8-9-13-12/h10-11,13,16H,4-9H2,1-3H3.
What are the key properties of dimethoxy-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-isoquinolin-1-yl)silane?
dimethoxy-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-isoquinolin-1-yl)silane has a molecular weight of 243.42 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-isoquinolin-1-yl)silane is sourced from PubChem (CID 151967650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).