(Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorohept-2-en-3-ol

C13H25F3O2Si — CID 102481446

IUPAC(Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorohept-2-en-3-ol
SMILESCCC[C@@H](O[Si](C)(C)C(C)(C)C)/C(O)=C/C(F)(F)F
InChIInChI=1S/C13H25F3O2Si/c1-7-8-11(10(17)9-13(14,15)16)18-19(5,6)12(2,3)4/h9,11,17H,7-8H2,1-6H3/b10-9-/t11-/m1/s1
InChIKeyKZTLZLPYOGJGBE-DWOQACPDSA-N
MW298.42 g/mol
LogP5.18
Rot. Bonds5

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

(Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorohept-2-en-3-ol (PubChem CID 102481446) has the molecular formula C13H25F3O2Si and a molecular weight of 298.42 g/mol. Its IUPAC name is (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorohept-2-en-3-ol.

Molecular Properties

Compound Name(Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorohept-2-en-3-ol
PubChem CID102481446
Molecular FormulaC13H25F3O2Si
Molecular Weight298.42 g/mol
Exact Mass298.16
IUPAC Name(Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorohept-2-en-3-ol
SMILESCCC[C@@H](O[Si](C)(C)C(C)(C)C)/C(O)=C/C(F)(F)F
InChIInChI=1S/C13H25F3O2Si/c1-7-8-11(10(17)9-13(14,15)16)18-19(5,6)12(2,3)4/h9,11,17H,7-8H2,1-6H3/b10-9-/t11-/m1/s1
InChIKeyKZTLZLPYOGJGBE-DWOQACPDSA-N
XLogP5.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.42
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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
(Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorohept-2-en-3-olate;titanium(4+);trichloride
CID 102481445
(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-ol
CID 68979686
5-[Tert-butyl(dimethyl)silyl]oxycyclopenten-1-ol
CID 20163953

Frequently Asked Questions

What is the IUPAC name of (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorohept-2-en-3-ol?
The IUPAC name of (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorohept-2-en-3-ol (CID 102481446) is (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorohept-2-en-3-ol.
What is the SMILES notation for (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorohept-2-en-3-ol?
The canonical SMILES for (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorohept-2-en-3-ol is CCC[C@@H](O[Si](C)(C)C(C)(C)C)/C(O)=C/C(F)(F)F.
What is the InChIKey of (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorohept-2-en-3-ol?
The InChIKey is KZTLZLPYOGJGBE-DWOQACPDSA-N. The full InChI is InChI=1S/C13H25F3O2Si/c1-7-8-11(10(17)9-13(14,15)16)18-19(5,6)12(2,3)4/h9,11,17H,7-8H2,1-6H3/b10-9-/t11-/m1/s1.
What are the key properties of (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorohept-2-en-3-ol?
(Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorohept-2-en-3-ol has a molecular weight of 298.42 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorohept-2-en-3-ol is sourced from PubChem (CID 102481446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).