[(4aS,9S,9aR)-1,1,4a-trimethyl-7-propan-2-yl-3,4,9,9a-tetrahydro-2H-fluoren-9-yl]oxy-tert-butyl-dimethylsilane

C25H42OSi — CID 134833685

IUPAC[(4aS,9S,9aR)-1,1,4a-trimethyl-7-propan-2-yl-3,4,9,9a-tetrahydro-2H-fluoren-9-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)c1ccc2c(c1)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C(C)(C)CCC[C@]21C
InChIInChI=1S/C25H42OSi/c1-17(2)18-12-13-20-19(16-18)21(26-27(9,10)23(3,4)5)22-24(6,7)14-11-15-25(20,22)8/h12-13,16-17,21-22H,11,14-15H2,1-10H3/t21-,22-,25-/m1/s1
InChIKeyBCIMMSPWCCDUKT-TZBSWOFLSA-N
MW386.70 g/mol
LogP7.97
Rot. Bonds3

About [(4aS,9S,9aR)-1,1,4a-trimethyl-7-propan-2-yl-3,4,9,9a-tetrahydro-2H-fluoren-9-yl]oxy-tert-butyl-dimethylsilane

[(4aS,9S,9aR)-1,1,4a-trimethyl-7-propan-2-yl-3,4,9,9a-tetrahydro-2H-fluoren-9-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 134833685) has the molecular formula C25H42OSi and a molecular weight of 386.70 g/mol. Its IUPAC name is [(4aS,9S,9aR)-1,1,4a-trimethyl-7-propan-2-yl-3,4,9,9a-tetrahydro-2H-fluoren-9-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(4aS,9S,9aR)-1,1,4a-trimethyl-7-propan-2-yl-3,4,9,9a-tetrahydro-2H-fluoren-9-yl]oxy-tert-butyl-dimethylsilane
PubChem CID134833685
Molecular FormulaC25H42OSi
Molecular Weight386.70 g/mol
Exact Mass386.30
IUPAC Name[(4aS,9S,9aR)-1,1,4a-trimethyl-7-propan-2-yl-3,4,9,9a-tetrahydro-2H-fluoren-9-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)c1ccc2c(c1)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C(C)(C)CCC[C@]21C
InChIInChI=1S/C25H42OSi/c1-17(2)18-12-13-20-19(16-18)21(26-27(9,10)23(3,4)5)22-24(6,7)14-11-15-25(20,22)8/h12-13,16-17,21-22H,11,14-15H2,1-10H3/t21-,22-,25-/m1/s1
InChIKeyBCIMMSPWCCDUKT-TZBSWOFLSA-N
XLogP7.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.70
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1S,9R,10R)-5-fluoro-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy-tri(propan-2-yl)silane
CID 134959747
tri(propan-2-yl)-[[(1S,9R,10R)-5-(trifluoromethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy]silane
CID 134959844
[(1R,3aR,4S,7aR)-7a-methyl-1-[(E,2R,5S)-6-methyl-5-phenylmethoxyhept-3-en-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-triethylsilane
CID 156904487
tert-butyl-dimethyl-[[(1S,2S)-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane
CID 162537325
Tert-butyl-[[3-(6,6-dimethylcyclohexen-1-yl)-4-(2-fluoro-5-methylphenyl)phenyl]methoxy]-dimethylsilane
CID 58380163
Tert-butyl-[[3-(2,2-dimethylcyclohexyl)-4-(2-fluoro-5-methylphenyl)phenyl]methoxy]-dimethylsilane
CID 58380274
tert-butyl-[[(1S)-4-(1,1-difluoro-2-methoxy-2-methylpropyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
CID 67813661
tert-butyl-[(S)-4-(1,1-difluoro-2-methoxy-ethyl)-indan-1-yloxy]-dimethyl-silane
CID 67814369
(9aS)-1,1,4a-trimethyl-6-(trifluoromethyl)-3,4,9,9a-tetrahydro-2H-fluoren-9-ol
CID 68388577
tert-butyl-[[4-(1,1-difluoro-2-methoxy-2-methylpropyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
CID 77360161
tert-butyl-[[4-(1,1-difluoro-2-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
CID 77360305
Tert-butyl-[1-[7-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-9,9-difluorofluoren-2-yl]ethenoxy]-dimethylsilane
CID 89405915

Frequently Asked Questions

What is the IUPAC name of [(4aS,9S,9aR)-1,1,4a-trimethyl-7-propan-2-yl-3,4,9,9a-tetrahydro-2H-fluoren-9-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(4aS,9S,9aR)-1,1,4a-trimethyl-7-propan-2-yl-3,4,9,9a-tetrahydro-2H-fluoren-9-yl]oxy-tert-butyl-dimethylsilane (CID 134833685) is [(4aS,9S,9aR)-1,1,4a-trimethyl-7-propan-2-yl-3,4,9,9a-tetrahydro-2H-fluoren-9-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(4aS,9S,9aR)-1,1,4a-trimethyl-7-propan-2-yl-3,4,9,9a-tetrahydro-2H-fluoren-9-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(4aS,9S,9aR)-1,1,4a-trimethyl-7-propan-2-yl-3,4,9,9a-tetrahydro-2H-fluoren-9-yl]oxy-tert-butyl-dimethylsilane is CC(C)c1ccc2c(c1)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C(C)(C)CCC[C@]21C.
What is the InChIKey of [(4aS,9S,9aR)-1,1,4a-trimethyl-7-propan-2-yl-3,4,9,9a-tetrahydro-2H-fluoren-9-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is BCIMMSPWCCDUKT-TZBSWOFLSA-N. The full InChI is InChI=1S/C25H42OSi/c1-17(2)18-12-13-20-19(16-18)21(26-27(9,10)23(3,4)5)22-24(6,7)14-11-15-25(20,22)8/h12-13,16-17,21-22H,11,14-15H2,1-10H3/t21-,22-,25-/m1/s1.
What are the key properties of [(4aS,9S,9aR)-1,1,4a-trimethyl-7-propan-2-yl-3,4,9,9a-tetrahydro-2H-fluoren-9-yl]oxy-tert-butyl-dimethylsilane?
[(4aS,9S,9aR)-1,1,4a-trimethyl-7-propan-2-yl-3,4,9,9a-tetrahydro-2H-fluoren-9-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 386.70 g/mol, XLogP of 7.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,9S,9aR)-1,1,4a-trimethyl-7-propan-2-yl-3,4,9,9a-tetrahydro-2H-fluoren-9-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134833685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).