(E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluorohex-3-ene-1,2-diol

C18H39FO4Si2 — CID 11315413

IUPAC(E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluorohex-3-ene-1,2-diol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](/C=C(/F)C(O)CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H39FO4Si2/c1-17(2,3)24(7,8)22-13-14(11-15(19)16(21)12-20)23-25(9,10)18(4,5)6/h11,14,16,20-21H,12-13H2,1-10H3/b15-11+/t14-,16?/m1/s1
InChIKeyFUQDBUWTHMFVLU-KJHQTRMQSA-N
MW394.68 g/mol
LogP4.61
Rot. Bonds8

About (E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluorohex-3-ene-1,2-diol

(E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluorohex-3-ene-1,2-diol (PubChem CID 11315413) has the molecular formula C18H39FO4Si2 and a molecular weight of 394.68 g/mol. Its IUPAC name is (E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluorohex-3-ene-1,2-diol.

Molecular Properties

Compound Name(E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluorohex-3-ene-1,2-diol
PubChem CID11315413
Molecular FormulaC18H39FO4Si2
Molecular Weight394.68 g/mol
Exact Mass394.24
IUPAC Name(E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluorohex-3-ene-1,2-diol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](/C=C(/F)C(O)CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H39FO4Si2/c1-17(2,3)24(7,8)22-13-14(11-15(19)16(21)12-20)23-25(9,10)18(4,5)6/h11,14,16,20-21H,12-13H2,1-10H3/b15-11+/t14-,16?/m1/s1
InChIKeyFUQDBUWTHMFVLU-KJHQTRMQSA-N
XLogP4.61
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.68
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-2-enoate
CID 102382081
(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodobutane-1,3-diol
CID 102271148
(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 86606837
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
CID 101238862
(2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)pentane-1,4-diol
CID 11833579
(2R,3R,4R,5R)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,3,4,5-tetrol
CID 11486689
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-one
CID 11672982
(Z)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylstannylbut-3-en-1-ol
CID 59052911
[2-bromo-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-tert-butyl-dimethylsilane
CID 125380572
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102073389

Frequently Asked Questions

What is the IUPAC name of (E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluorohex-3-ene-1,2-diol?
The IUPAC name of (E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluorohex-3-ene-1,2-diol (CID 11315413) is (E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluorohex-3-ene-1,2-diol.
What is the SMILES notation for (E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluorohex-3-ene-1,2-diol?
The canonical SMILES for (E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluorohex-3-ene-1,2-diol is CC(C)(C)[Si](C)(C)OC[C@@H](/C=C(/F)C(O)CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluorohex-3-ene-1,2-diol?
The InChIKey is FUQDBUWTHMFVLU-KJHQTRMQSA-N. The full InChI is InChI=1S/C18H39FO4Si2/c1-17(2,3)24(7,8)22-13-14(11-15(19)16(21)12-20)23-25(9,10)18(4,5)6/h11,14,16,20-21H,12-13H2,1-10H3/b15-11+/t14-,16?/m1/s1.
What are the key properties of (E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluorohex-3-ene-1,2-diol?
(E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluorohex-3-ene-1,2-diol has a molecular weight of 394.68 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluorohex-3-ene-1,2-diol is sourced from PubChem (CID 11315413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).