[(4aR,9R,9aR)-9a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,4a,9-tetrahydrofluoren-9-yl]oxy-tert-butyl-dimethylsilane

C26H44O2Si2 — CID 134864612

IUPAC[(4aR,9R,9aR)-9a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,4a,9-tetrahydrofluoren-9-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@]12C=CCC[C@@H]1c1ccccc1[C@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H44O2Si2/c1-24(2,3)29(7,8)27-19-26-18-14-13-17-22(26)20-15-11-12-16-21(20)23(26)28-30(9,10)25(4,5)6/h11-12,14-16,18,22-23H,13,17,19H2,1-10H3/t22-,23-,26+/m1/s1
InChIKeyMXDLWBYXANTRRP-PLXFJCCSSA-N
MW444.81 g/mol
LogP8.20
Rot. Bonds5

About [(4aR,9R,9aR)-9a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,4a,9-tetrahydrofluoren-9-yl]oxy-tert-butyl-dimethylsilane

[(4aR,9R,9aR)-9a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,4a,9-tetrahydrofluoren-9-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 134864612) has the molecular formula C26H44O2Si2 and a molecular weight of 444.81 g/mol. Its IUPAC name is [(4aR,9R,9aR)-9a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,4a,9-tetrahydrofluoren-9-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(4aR,9R,9aR)-9a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,4a,9-tetrahydrofluoren-9-yl]oxy-tert-butyl-dimethylsilane
PubChem CID134864612
Molecular FormulaC26H44O2Si2
Molecular Weight444.81 g/mol
Exact Mass444.29
IUPAC Name[(4aR,9R,9aR)-9a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,4a,9-tetrahydrofluoren-9-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@]12C=CCC[C@@H]1c1ccccc1[C@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H44O2Si2/c1-24(2,3)29(7,8)27-19-26-18-14-13-17-22(26)20-15-11-12-16-21(20)23(26)28-30(9,10)25(4,5)6/h11-12,14-16,18,22-23H,13,17,19H2,1-10H3/t22-,23-,26+/m1/s1
InChIKeyMXDLWBYXANTRRP-PLXFJCCSSA-N
XLogP8.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.81
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 134959747
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CID 156904487
tert-butyl-dimethyl-[[(1S,2S)-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane
CID 162537325
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CID 22639117
[9-[[Dimethyl(propyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-propylsilane
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Ethyl-[[9-[[ethyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane
CID 22639121
Tert-butyl-[[9-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane
CID 22639132
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
Butyl-[[9-[[butyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane
CID 69305459
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CID 69773883

Frequently Asked Questions

What is the IUPAC name of [(4aR,9R,9aR)-9a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,4a,9-tetrahydrofluoren-9-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(4aR,9R,9aR)-9a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,4a,9-tetrahydrofluoren-9-yl]oxy-tert-butyl-dimethylsilane (CID 134864612) is [(4aR,9R,9aR)-9a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,4a,9-tetrahydrofluoren-9-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(4aR,9R,9aR)-9a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,4a,9-tetrahydrofluoren-9-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(4aR,9R,9aR)-9a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,4a,9-tetrahydrofluoren-9-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@@]12C=CCC[C@@H]1c1ccccc1[C@H]2O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(4aR,9R,9aR)-9a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,4a,9-tetrahydrofluoren-9-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is MXDLWBYXANTRRP-PLXFJCCSSA-N. The full InChI is InChI=1S/C26H44O2Si2/c1-24(2,3)29(7,8)27-19-26-18-14-13-17-22(26)20-15-11-12-16-21(20)23(26)28-30(9,10)25(4,5)6/h11-12,14-16,18,22-23H,13,17,19H2,1-10H3/t22-,23-,26+/m1/s1.
What are the key properties of [(4aR,9R,9aR)-9a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,4a,9-tetrahydrofluoren-9-yl]oxy-tert-butyl-dimethylsilane?
[(4aR,9R,9aR)-9a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,4a,9-tetrahydrofluoren-9-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 444.81 g/mol, XLogP of 8.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,9R,9aR)-9a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,4a,9-tetrahydrofluoren-9-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134864612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).