tert-butyl-[[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-fluoro-5-methylidenecyclopentyl]methoxy]-dimethylsilane

C19H39FO2Si2 — CID 156903610

IUPACtert-butyl-[[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-fluoro-5-methylidenecyclopentyl]methoxy]-dimethylsilane
SMILESC=C1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@]1(F)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H39FO2Si2/c1-15-12-13-16(22-24(10,11)18(5,6)7)19(15,20)14-21-23(8,9)17(2,3)4/h16H,1,12-14H2,2-11H3/t16-,19+/m0/s1
InChIKeyTVUALUWGFKFHFP-QFBILLFUSA-N
MW374.69 g/mol
LogP6.46
Rot. Bonds5

About tert-butyl-[[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-fluoro-5-methylidenecyclopentyl]methoxy]-dimethylsilane

tert-butyl-[[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-fluoro-5-methylidenecyclopentyl]methoxy]-dimethylsilane (PubChem CID 156903610) has the molecular formula C19H39FO2Si2 and a molecular weight of 374.69 g/mol. Its IUPAC name is tert-butyl-[[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-fluoro-5-methylidenecyclopentyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-fluoro-5-methylidenecyclopentyl]methoxy]-dimethylsilane
PubChem CID156903610
Molecular FormulaC19H39FO2Si2
Molecular Weight374.69 g/mol
Exact Mass374.25
IUPAC Nametert-butyl-[[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-fluoro-5-methylidenecyclopentyl]methoxy]-dimethylsilane
SMILESC=C1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@]1(F)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H39FO2Si2/c1-15-12-13-16(22-24(10,11)18(5,6)7)19(15,20)14-21-23(8,9)17(2,3)4/h16H,1,12-14H2,2-11H3/t16-,19+/m0/s1
InChIKeyTVUALUWGFKFHFP-QFBILLFUSA-N
XLogP6.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.69
LogP ≤ 56.46
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-fluoro-5-methylidenecyclopentyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-fluoro-5-methylidenecyclopentyl]methoxy]-dimethylsilane (CID 156903610) is tert-butyl-[[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-fluoro-5-methylidenecyclopentyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-fluoro-5-methylidenecyclopentyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-fluoro-5-methylidenecyclopentyl]methoxy]-dimethylsilane is C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@]1(F)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-fluoro-5-methylidenecyclopentyl]methoxy]-dimethylsilane?
The InChIKey is TVUALUWGFKFHFP-QFBILLFUSA-N. The full InChI is InChI=1S/C19H39FO2Si2/c1-15-12-13-16(22-24(10,11)18(5,6)7)19(15,20)14-21-23(8,9)17(2,3)4/h16H,1,12-14H2,2-11H3/t16-,19+/m0/s1.
What are the key properties of tert-butyl-[[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-fluoro-5-methylidenecyclopentyl]methoxy]-dimethylsilane?
tert-butyl-[[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-fluoro-5-methylidenecyclopentyl]methoxy]-dimethylsilane has a molecular weight of 374.69 g/mol, XLogP of 6.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-fluoro-5-methylidenecyclopentyl]methoxy]-dimethylsilane is sourced from PubChem (CID 156903610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).