(Z,2S,3R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluorohex-4-en-1-ol

C18H39FO3Si2 — CID 53474554

IUPAC(Z,2S,3R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluorohex-4-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OC/C=C\[C@@H](F)[C@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H39FO3Si2/c1-17(2,3)23(7,8)21-13-11-12-15(19)16(14-20)22-24(9,10)18(4,5)6/h11-12,15-16,20H,13-14H2,1-10H3/b12-11-/t15-,16+/m1/s1
InChIKeyUKHOWUUICNEQBP-WXJRXKGESA-N
MW378.68 g/mol
LogP5.29
Rot. Bonds8

About (Z,2S,3R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluorohex-4-en-1-ol

(Z,2S,3R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluorohex-4-en-1-ol (PubChem CID 53474554) has the molecular formula C18H39FO3Si2 and a molecular weight of 378.68 g/mol. Its IUPAC name is (Z,2S,3R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluorohex-4-en-1-ol.

Molecular Properties

Compound Name(Z,2S,3R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluorohex-4-en-1-ol
PubChem CID53474554
Molecular FormulaC18H39FO3Si2
Molecular Weight378.68 g/mol
Exact Mass378.24
IUPAC Name(Z,2S,3R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluorohex-4-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OC/C=C\[C@@H](F)[C@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H39FO3Si2/c1-17(2,3)23(7,8)21-13-11-12-15(19)16(14-20)22-24(9,10)18(4,5)6/h11-12,15-16,20H,13-14H2,1-10H3/b12-11-/t15-,16+/m1/s1
InChIKeyUKHOWUUICNEQBP-WXJRXKGESA-N
XLogP5.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.68
LogP ≤ 55.29
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

(Z,2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-ene-1,2-diol
CID 102039375
(2Z,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-2,6-dien-1-ol
CID 134950412
(Z,2R,3S)-3-methyl-1-tri(propan-2-yl)silyloxyhex-4-en-2-ol
CID 10968145
(3E)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-3,6-dien-2-ol
CID 14494227
(E,2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-tri(propan-2-yl)silyloxyhex-4-en-2-ol
CID 15182176
(2S,4Z,7Z)-2-[tert-butyl(dimethyl)silyl]oxydeca-4,7-dien-1-ol
CID 23661055
(2E,4S,5S,6E)-1,8-bis(trimethylsilyl)octa-2,6-diene-4,5-diol
CID 25107473
(E,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-en-1-ol
CID 101778807
(E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-2-en-1-ol
CID 102050109
(E,2R)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-2-ol
CID 102380375
(2S,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-4,8-diene-2,7-diol
CID 123540959
(E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-en-1-ol
CID 134865662

Frequently Asked Questions

What is the IUPAC name of (Z,2S,3R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluorohex-4-en-1-ol?
The IUPAC name of (Z,2S,3R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluorohex-4-en-1-ol (CID 53474554) is (Z,2S,3R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluorohex-4-en-1-ol.
What is the SMILES notation for (Z,2S,3R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluorohex-4-en-1-ol?
The canonical SMILES for (Z,2S,3R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluorohex-4-en-1-ol is CC(C)(C)[Si](C)(C)OC/C=C\[C@@H](F)[C@H](CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z,2S,3R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluorohex-4-en-1-ol?
The InChIKey is UKHOWUUICNEQBP-WXJRXKGESA-N. The full InChI is InChI=1S/C18H39FO3Si2/c1-17(2,3)23(7,8)21-13-11-12-15(19)16(14-20)22-24(9,10)18(4,5)6/h11-12,15-16,20H,13-14H2,1-10H3/b12-11-/t15-,16+/m1/s1.
What are the key properties of (Z,2S,3R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluorohex-4-en-1-ol?
(Z,2S,3R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluorohex-4-en-1-ol has a molecular weight of 378.68 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S,3R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluorohex-4-en-1-ol is sourced from PubChem (CID 53474554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).