[(3aS,8bR)-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-yl]oxy-tert-butyl-dimethylsilane

C16H25NO2Si — CID 11483189

IUPAC[(3aS,8bR)-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@]12CCO[C@@H]1Nc1ccccc12
InChIInChI=1S/C16H25NO2Si/c1-15(2,3)20(4,5)19-16-10-11-18-14(16)17-13-9-7-6-8-12(13)16/h6-9,14,17H,10-11H2,1-5H3/t14-,16+/m0/s1
InChIKeyJGJCAOOKDAZJTO-GOEBONIOSA-N
MW291.47 g/mol
LogP4.08
Rot. Bonds2

About [(3aS,8bR)-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-yl]oxy-tert-butyl-dimethylsilane

[(3aS,8bR)-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11483189) has the molecular formula C16H25NO2Si and a molecular weight of 291.47 g/mol. Its IUPAC name is [(3aS,8bR)-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aS,8bR)-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11483189
Molecular FormulaC16H25NO2Si
Molecular Weight291.47 g/mol
Exact Mass291.17
IUPAC Name[(3aS,8bR)-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@]12CCO[C@@H]1Nc1ccccc12
InChIInChI=1S/C16H25NO2Si/c1-15(2,3)20(4,5)19-16-10-11-18-14(16)17-13-9-7-6-8-12(13)16/h6-9,14,17H,10-11H2,1-5H3/t14-,16+/m0/s1
InChIKeyJGJCAOOKDAZJTO-GOEBONIOSA-N
XLogP4.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.47
LogP ≤ 54.08
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

tert-butyl-dimethyl-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yloxy)silane
CID 69220700
(2S)-3-[(3aS,8bS)-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-yl]-2-aminopropanoic acid
CID 58171340
(3aS,8bR)-8b-[(1R)-1-thiophen-2-ylprop-2-enyl]-1,2,3a,4-tetrahydrofuro[2,3-b]indole
CID 134953386
tert-butyl N-[3-[(3aR,8bR)-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-yl]-4-butoxyphenyl]carbamate
CID 172907733
1-methyl-12-oxa-8-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 86174740
tert-butyl-dimethyl-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methoxy]silane
CID 132820205
(3S)-3-(2-aminophenyl)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-one
CID 11847417
tert-butyl-dimethyl-[(11-methyl-3-oxatricyclo[6.4.0.02,7]dodeca-1(8),9,11-trien-2-yl)oxy]silane
CID 10566451
tert-butyl-[2-[(2R,5R)-5-(2-fluorophenyl)-5-prop-2-enylpyrrolidin-2-yl]propan-2-yloxy]-dimethylsilane
CID 142588526
(1S,8S,9R)-1-[tert-butyl(dimethyl)silyl]oxy-10-methylidenetricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol
CID 10980442
6-[tert-butyl(dimethyl)silyl]oxy-1-phenylcyclodecan-1-ol
CID 22319875
2-methyl-4,4-bis(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine
CID 4111692

Frequently Asked Questions

What is the IUPAC name of [(3aS,8bR)-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aS,8bR)-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-yl]oxy-tert-butyl-dimethylsilane (CID 11483189) is [(3aS,8bR)-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aS,8bR)-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aS,8bR)-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@]12CCO[C@@H]1Nc1ccccc12.
What is the InChIKey of [(3aS,8bR)-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is JGJCAOOKDAZJTO-GOEBONIOSA-N. The full InChI is InChI=1S/C16H25NO2Si/c1-15(2,3)20(4,5)19-16-10-11-18-14(16)17-13-9-7-6-8-12(13)16/h6-9,14,17H,10-11H2,1-5H3/t14-,16+/m0/s1.
What are the key properties of [(3aS,8bR)-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-yl]oxy-tert-butyl-dimethylsilane?
[(3aS,8bR)-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 291.47 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,8bR)-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11483189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).