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

C38H57NO2Si — CID 66762178

IUPACtert-butyl-[(3R,9S)-3-(3-tert-butylphenyl)-4-cyclopentyl-7,7-dimethylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane
SMILESCC1(C)Cc2nc(C3CCCC3)c3c(c2[C@@H](O[Si](C)(C)C(C)(C)C)C1)C1(CCCC1)O[C@@H]3c1cccc(C(C)(C)C)c1
InChIInChI=1S/C38H57NO2Si/c1-35(2,3)27-19-15-18-26(22-27)34-31-32(38(40-34)20-13-14-21-38)30-28(39-33(31)25-16-11-12-17-25)23-37(7,8)24-29(30)41-42(9,10)36(4,5)6/h15,18-19,22,25,29,34H,11-14,16-17,20-21,23-24H2,1-10H3/t29-,34+/m0/s1
InChIKeyAWQVMTZGXHDPPN-ZBWWXOROSA-N
MW587.97 g/mol
LogP10.96
Rot. Bonds4

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

tert-butyl-[(3R,9S)-3-(3-tert-butylphenyl)-4-cyclopentyl-7,7-dimethylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane (PubChem CID 66762178) has the molecular formula C38H57NO2Si and a molecular weight of 587.97 g/mol. Its IUPAC name is tert-butyl-[(3R,9S)-3-(3-tert-butylphenyl)-4-cyclopentyl-7,7-dimethylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R,9S)-3-(3-tert-butylphenyl)-4-cyclopentyl-7,7-dimethylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane
PubChem CID66762178
Molecular FormulaC38H57NO2Si
Molecular Weight587.97 g/mol
Exact Mass587.42
IUPAC Nametert-butyl-[(3R,9S)-3-(3-tert-butylphenyl)-4-cyclopentyl-7,7-dimethylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane
SMILESCC1(C)Cc2nc(C3CCCC3)c3c(c2[C@@H](O[Si](C)(C)C(C)(C)C)C1)C1(CCCC1)O[C@@H]3c1cccc(C(C)(C)C)c1
InChIInChI=1S/C38H57NO2Si/c1-35(2,3)27-19-15-18-26(22-27)34-31-32(38(40-34)20-13-14-21-38)30-28(39-33(31)25-16-11-12-17-25)23-37(7,8)24-29(30)41-42(9,10)36(4,5)6/h15,18-19,22,25,29,34H,11-14,16-17,20-21,23-24H2,1-10H3/t29-,34+/m0/s1
InChIKeyAWQVMTZGXHDPPN-ZBWWXOROSA-N
XLogP10.96
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.97
LogP ≤ 510.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-[(3R,9S)-3-(3-tert-butylphenyl)-4-cyclopentyl-7,7-dimethylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R,9S)-3-(3-tert-butylphenyl)-4-cyclopentyl-7,7-dimethylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3R,9S)-3-(3-tert-butylphenyl)-4-cyclopentyl-7,7-dimethylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane (CID 66762178) is tert-butyl-[(3R,9S)-3-(3-tert-butylphenyl)-4-cyclopentyl-7,7-dimethylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3R,9S)-3-(3-tert-butylphenyl)-4-cyclopentyl-7,7-dimethylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3R,9S)-3-(3-tert-butylphenyl)-4-cyclopentyl-7,7-dimethylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane is CC1(C)Cc2nc(C3CCCC3)c3c(c2[C@@H](O[Si](C)(C)C(C)(C)C)C1)C1(CCCC1)O[C@@H]3c1cccc(C(C)(C)C)c1.
What is the InChIKey of tert-butyl-[(3R,9S)-3-(3-tert-butylphenyl)-4-cyclopentyl-7,7-dimethylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane?
The InChIKey is AWQVMTZGXHDPPN-ZBWWXOROSA-N. The full InChI is InChI=1S/C38H57NO2Si/c1-35(2,3)27-19-15-18-26(22-27)34-31-32(38(40-34)20-13-14-21-38)30-28(39-33(31)25-16-11-12-17-25)23-37(7,8)24-29(30)41-42(9,10)36(4,5)6/h15,18-19,22,25,29,34H,11-14,16-17,20-21,23-24H2,1-10H3/t29-,34+/m0/s1.
What are the key properties of tert-butyl-[(3R,9S)-3-(3-tert-butylphenyl)-4-cyclopentyl-7,7-dimethylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane?
tert-butyl-[(3R,9S)-3-(3-tert-butylphenyl)-4-cyclopentyl-7,7-dimethylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane has a molecular weight of 587.97 g/mol, XLogP of 10.96, 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-(3-tert-butylphenyl)-4-cyclopentyl-7,7-dimethylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane is sourced from PubChem (CID 66762178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).