tert-butyl-[[(3R,9S)-3-(4-tert-butylphenyl)-4-cyclopentyl-1,1,7,7-tetramethyl-3,6,8,9-tetrahydrofuro[3,4-c]quinolin-9-yl]oxy]-dimethylsilane

C36H55NO2Si — CID 66762653

IUPACtert-butyl-[[(3R,9S)-3-(4-tert-butylphenyl)-4-cyclopentyl-1,1,7,7-tetramethyl-3,6,8,9-tetrahydrofuro[3,4-c]quinolin-9-yl]oxy]-dimethylsilane
SMILESCC1(C)Cc2nc(C3CCCC3)c3c(c2[C@@H](O[Si](C)(C)C(C)(C)C)C1)C(C)(C)O[C@@H]3c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C36H55NO2Si/c1-33(2,3)25-19-17-24(18-20-25)32-29-30(36(9,10)38-32)28-26(37-31(29)23-15-13-14-16-23)21-35(7,8)22-27(28)39-40(11,12)34(4,5)6/h17-20,23,27,32H,13-16,21-22H2,1-12H3/t27-,32+/m0/s1
InChIKeyKURLPUUTGQPCEB-QVWWMRLHSA-N
MW561.93 g/mol
LogP10.43
Rot. Bonds4

About tert-butyl-[[(3R,9S)-3-(4-tert-butylphenyl)-4-cyclopentyl-1,1,7,7-tetramethyl-3,6,8,9-tetrahydrofuro[3,4-c]quinolin-9-yl]oxy]-dimethylsilane

tert-butyl-[[(3R,9S)-3-(4-tert-butylphenyl)-4-cyclopentyl-1,1,7,7-tetramethyl-3,6,8,9-tetrahydrofuro[3,4-c]quinolin-9-yl]oxy]-dimethylsilane (PubChem CID 66762653) has the molecular formula C36H55NO2Si and a molecular weight of 561.93 g/mol. Its IUPAC name is tert-butyl-[[(3R,9S)-3-(4-tert-butylphenyl)-4-cyclopentyl-1,1,7,7-tetramethyl-3,6,8,9-tetrahydrofuro[3,4-c]quinolin-9-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(3R,9S)-3-(4-tert-butylphenyl)-4-cyclopentyl-1,1,7,7-tetramethyl-3,6,8,9-tetrahydrofuro[3,4-c]quinolin-9-yl]oxy]-dimethylsilane
PubChem CID66762653
Molecular FormulaC36H55NO2Si
Molecular Weight561.93 g/mol
Exact Mass561.40
IUPAC Nametert-butyl-[[(3R,9S)-3-(4-tert-butylphenyl)-4-cyclopentyl-1,1,7,7-tetramethyl-3,6,8,9-tetrahydrofuro[3,4-c]quinolin-9-yl]oxy]-dimethylsilane
SMILESCC1(C)Cc2nc(C3CCCC3)c3c(c2[C@@H](O[Si](C)(C)C(C)(C)C)C1)C(C)(C)O[C@@H]3c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C36H55NO2Si/c1-33(2,3)25-19-17-24(18-20-25)32-29-30(36(9,10)38-32)28-26(37-31(29)23-15-13-14-16-23)21-35(7,8)22-27(28)39-40(11,12)34(4,5)6/h17-20,23,27,32H,13-16,21-22H2,1-12H3/t27-,32+/m0/s1
InChIKeyKURLPUUTGQPCEB-QVWWMRLHSA-N
XLogP10.43
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.93
LogP ≤ 510.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[[(3R,9S)-3-(4-tert-butylphenyl)-4-cyclopentyl-1,1,7,7-tetramethyl-3,6,8,9-tetrahydrofuro[3,4-c]quinolin-9-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(3R,9S)-3-(4-tert-butylphenyl)-4-cyclopentyl-1,1,7,7-tetramethyl-3,6,8,9-tetrahydrofuro[3,4-c]quinolin-9-yl]oxy]-dimethylsilane (CID 66762653) is tert-butyl-[[(3R,9S)-3-(4-tert-butylphenyl)-4-cyclopentyl-1,1,7,7-tetramethyl-3,6,8,9-tetrahydrofuro[3,4-c]quinolin-9-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(3R,9S)-3-(4-tert-butylphenyl)-4-cyclopentyl-1,1,7,7-tetramethyl-3,6,8,9-tetrahydrofuro[3,4-c]quinolin-9-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(3R,9S)-3-(4-tert-butylphenyl)-4-cyclopentyl-1,1,7,7-tetramethyl-3,6,8,9-tetrahydrofuro[3,4-c]quinolin-9-yl]oxy]-dimethylsilane is CC1(C)Cc2nc(C3CCCC3)c3c(c2[C@@H](O[Si](C)(C)C(C)(C)C)C1)C(C)(C)O[C@@H]3c1ccc(C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[[(3R,9S)-3-(4-tert-butylphenyl)-4-cyclopentyl-1,1,7,7-tetramethyl-3,6,8,9-tetrahydrofuro[3,4-c]quinolin-9-yl]oxy]-dimethylsilane?
The InChIKey is KURLPUUTGQPCEB-QVWWMRLHSA-N. The full InChI is InChI=1S/C36H55NO2Si/c1-33(2,3)25-19-17-24(18-20-25)32-29-30(36(9,10)38-32)28-26(37-31(29)23-15-13-14-16-23)21-35(7,8)22-27(28)39-40(11,12)34(4,5)6/h17-20,23,27,32H,13-16,21-22H2,1-12H3/t27-,32+/m0/s1.
What are the key properties of tert-butyl-[[(3R,9S)-3-(4-tert-butylphenyl)-4-cyclopentyl-1,1,7,7-tetramethyl-3,6,8,9-tetrahydrofuro[3,4-c]quinolin-9-yl]oxy]-dimethylsilane?
tert-butyl-[[(3R,9S)-3-(4-tert-butylphenyl)-4-cyclopentyl-1,1,7,7-tetramethyl-3,6,8,9-tetrahydrofuro[3,4-c]quinolin-9-yl]oxy]-dimethylsilane has a molecular weight of 561.93 g/mol, XLogP of 10.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(3R,9S)-3-(4-tert-butylphenyl)-4-cyclopentyl-1,1,7,7-tetramethyl-3,6,8,9-tetrahydrofuro[3,4-c]quinolin-9-yl]oxy]-dimethylsilane is sourced from PubChem (CID 66762653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).