(E)-5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-en-2-ol

C11H21F3O2Si — CID 71531556

IUPAC(E)-5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-en-2-ol
SMILESCC(C)(C)[Si](C)(C)OC/C=C/C(O)C(F)(F)F
InChIInChI=1S/C11H21F3O2Si/c1-10(2,3)17(4,5)16-8-6-7-9(15)11(12,13)14/h6-7,9,15H,8H2,1-5H3/b7-6+
InChIKeyGOQOMEOEGMBOHX-VOTSOKGWSA-N
MW270.37 g/mol
LogP3.49
Rot. Bonds4

About (E)-5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-en-2-ol

(E)-5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-en-2-ol (PubChem CID 71531556) has the molecular formula C11H21F3O2Si and a molecular weight of 270.37 g/mol. Its IUPAC name is (E)-5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-en-2-ol.

Molecular Properties

Compound Name(E)-5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-en-2-ol
PubChem CID71531556
Molecular FormulaC11H21F3O2Si
Molecular Weight270.37 g/mol
Exact Mass270.13
IUPAC Name(E)-5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-en-2-ol
SMILESCC(C)(C)[Si](C)(C)OC/C=C/C(O)C(F)(F)F
InChIInChI=1S/C11H21F3O2Si/c1-10(2,3)17(4,5)16-8-6-7-9(15)11(12,13)14/h6-7,9,15H,8H2,1-5H3/b7-6+
InChIKeyGOQOMEOEGMBOHX-VOTSOKGWSA-N
XLogP3.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-1-ol
CID 12194985
(Z)-5-((tert-butyldimethylsilyl)oxy)pent-2-en-1-ol
CID 15689848
(Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-en-1-ol
CID 22236659
(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-en-1-ol
CID 60037105
5-[Tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-en-1-ol
CID 73877128
(Z)-6-[tert-butyl(dimethyl)silyl]oxy-4-fluorohex-4-en-3-ol
CID 141121837
(Z,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-1-ol
CID 10488936
(5E)-3-trimethylsilylhepta-1,2,5-trien-4-ol
CID 11137773
(1E,4E)-1-triethylsilylhexa-1,4-dien-3-ol
CID 14935612
(Z,2R)-1-trimethylsilylpent-3-en-2-ol
CID 71473119
(Z,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-en-1-ol
CID 129403734

Frequently Asked Questions

What is the IUPAC name of (E)-5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-en-2-ol?
The IUPAC name of (E)-5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-en-2-ol (CID 71531556) is (E)-5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-en-2-ol.
What is the SMILES notation for (E)-5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-en-2-ol?
The canonical SMILES for (E)-5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-en-2-ol is CC(C)(C)[Si](C)(C)OC/C=C/C(O)C(F)(F)F.
What is the InChIKey of (E)-5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-en-2-ol?
The InChIKey is GOQOMEOEGMBOHX-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H21F3O2Si/c1-10(2,3)17(4,5)16-8-6-7-9(15)11(12,13)14/h6-7,9,15H,8H2,1-5H3/b7-6+.
What are the key properties of (E)-5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-en-2-ol?
(E)-5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-en-2-ol has a molecular weight of 270.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-en-2-ol is sourced from PubChem (CID 71531556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).