tert-butyl-dimethyl-[[(1S,3S)-1-(2,4,6-trimethylphenyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methoxy]silane

C25H37NOSi — CID 10620733

IUPACtert-butyl-dimethyl-[[(1S,3S)-1-(2,4,6-trimethylphenyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methoxy]silane
SMILESCc1cc(C)c([C@H]2N[C@H](CO[Si](C)(C)C(C)(C)C)Cc3ccccc32)c(C)c1
InChIInChI=1S/C25H37NOSi/c1-17-13-18(2)23(19(3)14-17)24-22-12-10-9-11-20(22)15-21(26-24)16-27-28(7,8)25(4,5)6/h9-14,21,24,26H,15-16H2,1-8H3/t21-,24-/m0/s1
InChIKeyXDCUNUMFRMQMSR-URXFXBBRSA-N
MW395.66 g/mol
LogP6.24
Rot. Bonds4

About tert-butyl-dimethyl-[[(1S,3S)-1-(2,4,6-trimethylphenyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methoxy]silane

tert-butyl-dimethyl-[[(1S,3S)-1-(2,4,6-trimethylphenyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methoxy]silane (PubChem CID 10620733) has the molecular formula C25H37NOSi and a molecular weight of 395.66 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1S,3S)-1-(2,4,6-trimethylphenyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1S,3S)-1-(2,4,6-trimethylphenyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methoxy]silane
PubChem CID10620733
Molecular FormulaC25H37NOSi
Molecular Weight395.66 g/mol
Exact Mass395.26
IUPAC Nametert-butyl-dimethyl-[[(1S,3S)-1-(2,4,6-trimethylphenyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methoxy]silane
SMILESCc1cc(C)c([C@H]2N[C@H](CO[Si](C)(C)C(C)(C)C)Cc3ccccc32)c(C)c1
InChIInChI=1S/C25H37NOSi/c1-17-13-18(2)23(19(3)14-17)24-22-12-10-9-11-20(22)15-21(26-24)16-27-28(7,8)25(4,5)6/h9-14,21,24,26H,15-16H2,1-8H3/t21-,24-/m0/s1
InChIKeyXDCUNUMFRMQMSR-URXFXBBRSA-N
XLogP6.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.66
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 tert-butyl-dimethyl-[[(1S,3S)-1-(2,4,6-trimethylphenyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1S,3S)-1-(2,4,6-trimethylphenyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methoxy]silane (CID 10620733) is tert-butyl-dimethyl-[[(1S,3S)-1-(2,4,6-trimethylphenyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1S,3S)-1-(2,4,6-trimethylphenyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1S,3S)-1-(2,4,6-trimethylphenyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methoxy]silane is Cc1cc(C)c([C@H]2N[C@H](CO[Si](C)(C)C(C)(C)C)Cc3ccccc32)c(C)c1.
What is the InChIKey of tert-butyl-dimethyl-[[(1S,3S)-1-(2,4,6-trimethylphenyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methoxy]silane?
The InChIKey is XDCUNUMFRMQMSR-URXFXBBRSA-N. The full InChI is InChI=1S/C25H37NOSi/c1-17-13-18(2)23(19(3)14-17)24-22-12-10-9-11-20(22)15-21(26-24)16-27-28(7,8)25(4,5)6/h9-14,21,24,26H,15-16H2,1-8H3/t21-,24-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(1S,3S)-1-(2,4,6-trimethylphenyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methoxy]silane?
tert-butyl-dimethyl-[[(1S,3S)-1-(2,4,6-trimethylphenyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methoxy]silane has a molecular weight of 395.66 g/mol, XLogP of 6.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1S,3S)-1-(2,4,6-trimethylphenyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methoxy]silane is sourced from PubChem (CID 10620733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).