(Z,2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-ene-1,2-diol

C12H24F2O3Si — CID 102039375

IUPAC(Z,2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-ene-1,2-diol
SMILESCC(C)(C)[Si](C)(C)OC/C=C\C(F)(F)[C@H](O)CO
InChIInChI=1S/C12H24F2O3Si/c1-11(2,3)18(4,5)17-8-6-7-12(13,14)10(16)9-15/h6-7,10,15-16H,8-9H2,1-5H3/b7-6-/t10-/m1/s1
InChIKeyHZVRNKUKMDJSCK-JYESYGNLSA-N
MW282.40 g/mol
LogP2.55
Rot. Bonds6

About (Z,2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-ene-1,2-diol

(Z,2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-ene-1,2-diol (PubChem CID 102039375) has the molecular formula C12H24F2O3Si and a molecular weight of 282.40 g/mol. Its IUPAC name is (Z,2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-ene-1,2-diol.

Molecular Properties

Compound Name(Z,2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-ene-1,2-diol
PubChem CID102039375
Molecular FormulaC12H24F2O3Si
Molecular Weight282.40 g/mol
Exact Mass282.15
IUPAC Name(Z,2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-ene-1,2-diol
SMILESCC(C)(C)[Si](C)(C)OC/C=C\C(F)(F)[C@H](O)CO
InChIInChI=1S/C12H24F2O3Si/c1-11(2,3)18(4,5)17-8-6-7-12(13,14)10(16)9-15/h6-7,10,15-16H,8-9H2,1-5H3/b7-6-/t10-/m1/s1
InChIKeyHZVRNKUKMDJSCK-JYESYGNLSA-N
XLogP2.55
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
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,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooct-5-en-1-ol
CID 140749985
(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
(E,2R)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-2-ol
CID 102380375
(E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-en-1-ol
CID 134865662
(E)-1-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-ol
CID 134897288
(2R,3E)-1-[tert-butyl(dimethyl)silyl]oxy-4-fluorohexa-3,5-dien-2-ol
CID 11149286
(E)-8-[tert-butyl(dimethyl)silyl]oxy-5,5-difluorooct-2-en-6-yn-4-ol
CID 16087506
(2E,6Z)-8-[tert-butyl(dimethyl)silyl]oxy-5,5-difluoroocta-2,6-dien-4-ol
CID 16087519
(Z,2S,3R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluorohex-4-en-1-ol
CID 53474554
(E)-5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-en-2-ol
CID 71531556
(Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorohept-2-en-3-ol
CID 102481446

Frequently Asked Questions

What is the IUPAC name of (Z,2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-ene-1,2-diol?
The IUPAC name of (Z,2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-ene-1,2-diol (CID 102039375) is (Z,2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-ene-1,2-diol.
What is the SMILES notation for (Z,2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-ene-1,2-diol?
The canonical SMILES for (Z,2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-ene-1,2-diol is CC(C)(C)[Si](C)(C)OC/C=C\C(F)(F)[C@H](O)CO.
What is the InChIKey of (Z,2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-ene-1,2-diol?
The InChIKey is HZVRNKUKMDJSCK-JYESYGNLSA-N. The full InChI is InChI=1S/C12H24F2O3Si/c1-11(2,3)18(4,5)17-8-6-7-12(13,14)10(16)9-15/h6-7,10,15-16H,8-9H2,1-5H3/b7-6-/t10-/m1/s1.
What are the key properties of (Z,2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-ene-1,2-diol?
(Z,2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-ene-1,2-diol has a molecular weight of 282.40 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-ene-1,2-diol is sourced from PubChem (CID 102039375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).