9-[tert-butyl(dimethyl)silyl]oxy-4-chloro-7,7-dimethyl-3-[4-(trifluoromethyl)phenyl]spiro[8,9-dihydro-6H-furo[3,4-c]quinoline-1,4'-oxane]-3-ol

C30H39ClF3NO4Si — CID 123257741

IUPAC9-[tert-butyl(dimethyl)silyl]oxy-4-chloro-7,7-dimethyl-3-[4-(trifluoromethyl)phenyl]spiro[8,9-dihydro-6H-furo[3,4-c]quinoline-1,4'-oxane]-3-ol
SMILESCC1(C)Cc2nc(Cl)c3c(c2C(O[Si](C)(C)C(C)(C)C)C1)C1(CCOCC1)OC3(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C30H39ClF3NO4Si/c1-26(2,3)40(6,7)38-21-17-27(4,5)16-20-22(21)23-24(25(31)35-20)29(36,39-28(23)12-14-37-15-13-28)18-8-10-19(11-9-18)30(32,33)34/h8-11,21,36H,12-17H2,1-7H3
InChIKeyVSDDVUPHLOGMDP-UHFFFAOYSA-N
MW598.18 g/mol
LogP8.02
Rot. Bonds3

About 9-[tert-butyl(dimethyl)silyl]oxy-4-chloro-7,7-dimethyl-3-[4-(trifluoromethyl)phenyl]spiro[8,9-dihydro-6H-furo[3,4-c]quinoline-1,4'-oxane]-3-ol

9-[tert-butyl(dimethyl)silyl]oxy-4-chloro-7,7-dimethyl-3-[4-(trifluoromethyl)phenyl]spiro[8,9-dihydro-6H-furo[3,4-c]quinoline-1,4'-oxane]-3-ol (PubChem CID 123257741) has the molecular formula C30H39ClF3NO4Si and a molecular weight of 598.18 g/mol. Its IUPAC name is 9-[tert-butyl(dimethyl)silyl]oxy-4-chloro-7,7-dimethyl-3-[4-(trifluoromethyl)phenyl]spiro[8,9-dihydro-6H-furo[3,4-c]quinoline-1,4'-oxane]-3-ol.

Molecular Properties

Compound Name9-[tert-butyl(dimethyl)silyl]oxy-4-chloro-7,7-dimethyl-3-[4-(trifluoromethyl)phenyl]spiro[8,9-dihydro-6H-furo[3,4-c]quinoline-1,4'-oxane]-3-ol
PubChem CID123257741
Molecular FormulaC30H39ClF3NO4Si
Molecular Weight598.18 g/mol
Exact Mass597.23
IUPAC Name9-[tert-butyl(dimethyl)silyl]oxy-4-chloro-7,7-dimethyl-3-[4-(trifluoromethyl)phenyl]spiro[8,9-dihydro-6H-furo[3,4-c]quinoline-1,4'-oxane]-3-ol
SMILESCC1(C)Cc2nc(Cl)c3c(c2C(O[Si](C)(C)C(C)(C)C)C1)C1(CCOCC1)OC3(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C30H39ClF3NO4Si/c1-26(2,3)40(6,7)38-21-17-27(4,5)16-20-22(21)23-24(25(31)35-20)29(36,39-28(23)12-14-37-15-13-28)18-8-10-19(11-9-18)30(32,33)34/h8-11,21,36H,12-17H2,1-7H3
InChIKeyVSDDVUPHLOGMDP-UHFFFAOYSA-N
XLogP8.02
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.18
LogP ≤ 58.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 9-[tert-butyl(dimethyl)silyl]oxy-4-chloro-7,7-dimethyl-3-[4-(trifluoromethyl)phenyl]spiro[8,9-dihydro-6H-furo[3,4-c]quinoline-1,4'-oxane]-3-ol 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 9-[tert-butyl(dimethyl)silyl]oxy-4-chloro-7,7-dimethyl-3-[4-(trifluoromethyl)phenyl]spiro[8,9-dihydro-6H-furo[3,4-c]quinoline-1,4'-oxane]-3-ol?
The IUPAC name of 9-[tert-butyl(dimethyl)silyl]oxy-4-chloro-7,7-dimethyl-3-[4-(trifluoromethyl)phenyl]spiro[8,9-dihydro-6H-furo[3,4-c]quinoline-1,4'-oxane]-3-ol (CID 123257741) is 9-[tert-butyl(dimethyl)silyl]oxy-4-chloro-7,7-dimethyl-3-[4-(trifluoromethyl)phenyl]spiro[8,9-dihydro-6H-furo[3,4-c]quinoline-1,4'-oxane]-3-ol.
What is the SMILES notation for 9-[tert-butyl(dimethyl)silyl]oxy-4-chloro-7,7-dimethyl-3-[4-(trifluoromethyl)phenyl]spiro[8,9-dihydro-6H-furo[3,4-c]quinoline-1,4'-oxane]-3-ol?
The canonical SMILES for 9-[tert-butyl(dimethyl)silyl]oxy-4-chloro-7,7-dimethyl-3-[4-(trifluoromethyl)phenyl]spiro[8,9-dihydro-6H-furo[3,4-c]quinoline-1,4'-oxane]-3-ol is CC1(C)Cc2nc(Cl)c3c(c2C(O[Si](C)(C)C(C)(C)C)C1)C1(CCOCC1)OC3(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 9-[tert-butyl(dimethyl)silyl]oxy-4-chloro-7,7-dimethyl-3-[4-(trifluoromethyl)phenyl]spiro[8,9-dihydro-6H-furo[3,4-c]quinoline-1,4'-oxane]-3-ol?
The InChIKey is VSDDVUPHLOGMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39ClF3NO4Si/c1-26(2,3)40(6,7)38-21-17-27(4,5)16-20-22(21)23-24(25(31)35-20)29(36,39-28(23)12-14-37-15-13-28)18-8-10-19(11-9-18)30(32,33)34/h8-11,21,36H,12-17H2,1-7H3.
What are the key properties of 9-[tert-butyl(dimethyl)silyl]oxy-4-chloro-7,7-dimethyl-3-[4-(trifluoromethyl)phenyl]spiro[8,9-dihydro-6H-furo[3,4-c]quinoline-1,4'-oxane]-3-ol?
9-[tert-butyl(dimethyl)silyl]oxy-4-chloro-7,7-dimethyl-3-[4-(trifluoromethyl)phenyl]spiro[8,9-dihydro-6H-furo[3,4-c]quinoline-1,4'-oxane]-3-ol has a molecular weight of 598.18 g/mol, XLogP of 8.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[tert-butyl(dimethyl)silyl]oxy-4-chloro-7,7-dimethyl-3-[4-(trifluoromethyl)phenyl]spiro[8,9-dihydro-6H-furo[3,4-c]quinoline-1,4'-oxane]-3-ol is sourced from PubChem (CID 123257741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).