(1S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-methylidenecyclopentan-1-ol

C19H39FO3Si2 — CID 156903643

IUPAC(1S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-methylidenecyclopentan-1-ol
SMILESC=C1[C@@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]1(F)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H39FO3Si2/c1-14-15(21)12-16(23-25(10,11)18(5,6)7)19(14,20)13-22-24(8,9)17(2,3)4/h15-16,21H,1,12-13H2,2-11H3/t15-,16-,19+/m0/s1
InChIKeyALYONQMCTKWHHD-TXPKVOOTSA-N
MW390.69 g/mol
LogP5.43
Rot. Bonds5

About (1S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-methylidenecyclopentan-1-ol

(1S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-methylidenecyclopentan-1-ol (PubChem CID 156903643) has the molecular formula C19H39FO3Si2 and a molecular weight of 390.69 g/mol. Its IUPAC name is (1S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-methylidenecyclopentan-1-ol.

Molecular Properties

Compound Name(1S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-methylidenecyclopentan-1-ol
PubChem CID156903643
Molecular FormulaC19H39FO3Si2
Molecular Weight390.69 g/mol
Exact Mass390.24
IUPAC Name(1S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-methylidenecyclopentan-1-ol
SMILESC=C1[C@@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]1(F)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H39FO3Si2/c1-14-15(21)12-16(23-25(10,11)18(5,6)7)19(14,20)13-22-24(8,9)17(2,3)4/h15-16,21H,1,12-13H2,2-11H3/t15-,16-,19+/m0/s1
InChIKeyALYONQMCTKWHHD-TXPKVOOTSA-N
XLogP5.43
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.69
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(1R,3R,4S)-4-((tert-Butyldimethylsilyl)oxy)-3-(((tert-butyldimethylsilyl)oxy)methyl)-2-methylenecyclopentanol
CID 56651232
(-)-(6aR,8S,9R,9aR)-9-Fluoro-2,2,4,4-tetraisopropyl-7-methylenehexahydrocyclopenta[f]-[1,3,5,2,4]trioxadisilocin-8-ol
CID 102334878
(-)-(6aR,8R,9R,9aR)-9-Fluoro-2,2,4,4-tetraisopropyl-7-methylenehexahydrocyclopenta[f]-[1,3,5,2,4]trioxadisilocin-8-ol
CID 131735544
(6aR,9S)-9-fluoro-7-methylidene-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-cyclopenta[f][1,3,5,2,4]trioxadisilocin-8-ol
CID 140714179
(6aR,8R,9S)-9-fluoro-7-methylidene-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-cyclopenta[f][1,3,5,2,4]trioxadisilocin-8-ol
CID 140714181
(1R,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-methylidenecyclopentan-1-ol
CID 156903617
(6aR,8S,9S)-9-fluoro-7-methylidene-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-cyclopenta[f][1,3,5,2,4]trioxadisilocin-8-ol
CID 157631125
trans-(1R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-methylidenecyclopentan-1-ol
CID 173866425
4-[Tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol
CID 22177670
(1S,2R,4R)-4-((tert-butyldimethylsilyl)oxy)-2-(hydroxymethyl)-3-methylenecyclopentanol
CID 67982857
(1R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol
CID 68839225
(1R,3R,4S)-4-((Tert-butyldimethylsilyl)oxy)-3-(((tert-butyldimethylsilyl)-oxy)methyl)-2-methylenecyclopentanol
CID 76386712

Frequently Asked Questions

What is the IUPAC name of (1S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-methylidenecyclopentan-1-ol?
The IUPAC name of (1S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-methylidenecyclopentan-1-ol (CID 156903643) is (1S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-methylidenecyclopentan-1-ol.
What is the SMILES notation for (1S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-methylidenecyclopentan-1-ol?
The canonical SMILES for (1S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-methylidenecyclopentan-1-ol is C=C1[C@@H](O)C[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 (1S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-methylidenecyclopentan-1-ol?
The InChIKey is ALYONQMCTKWHHD-TXPKVOOTSA-N. The full InChI is InChI=1S/C19H39FO3Si2/c1-14-15(21)12-16(23-25(10,11)18(5,6)7)19(14,20)13-22-24(8,9)17(2,3)4/h15-16,21H,1,12-13H2,2-11H3/t15-,16-,19+/m0/s1.
What are the key properties of (1S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-methylidenecyclopentan-1-ol?
(1S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-methylidenecyclopentan-1-ol has a molecular weight of 390.69 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-methylidenecyclopentan-1-ol is sourced from PubChem (CID 156903643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).