(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooct-5-en-1-ol

C14H27F3O2Si — CID 140749985

IUPAC(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooct-5-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H](C/C=C\CC(F)(F)F)CCO
InChIInChI=1S/C14H27F3O2Si/c1-13(2,3)20(4,5)19-12(9-11-18)8-6-7-10-14(15,16)17/h6-7,12,18H,8-11H2,1-5H3/b7-6-/t12-/m0/s1
InChIKeyMBZRBZPCFVSWKW-DGMVEKRQSA-N
MW312.45 g/mol
LogP4.66
Rot. Bonds7

About (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooct-5-en-1-ol

(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooct-5-en-1-ol (PubChem CID 140749985) has the molecular formula C14H27F3O2Si and a molecular weight of 312.45 g/mol. Its IUPAC name is (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooct-5-en-1-ol.

Molecular Properties

Compound Name(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooct-5-en-1-ol
PubChem CID140749985
Molecular FormulaC14H27F3O2Si
Molecular Weight312.45 g/mol
Exact Mass312.17
IUPAC Name(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooct-5-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H](C/C=C\CC(F)(F)F)CCO
InChIInChI=1S/C14H27F3O2Si/c1-13(2,3)20(4,5)19-12(9-11-18)8-6-7-10-14(15,16)17/h6-7,12,18H,8-11H2,1-5H3/b7-6-/t12-/m0/s1
InChIKeyMBZRBZPCFVSWKW-DGMVEKRQSA-N
XLogP4.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 54.66
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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Frequently Asked Questions

What is the IUPAC name of (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooct-5-en-1-ol?
The IUPAC name of (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooct-5-en-1-ol (CID 140749985) is (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooct-5-en-1-ol.
What is the SMILES notation for (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooct-5-en-1-ol?
The canonical SMILES for (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooct-5-en-1-ol is CC(C)(C)[Si](C)(C)O[C@@H](C/C=C\CC(F)(F)F)CCO.
What is the InChIKey of (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooct-5-en-1-ol?
The InChIKey is MBZRBZPCFVSWKW-DGMVEKRQSA-N. The full InChI is InChI=1S/C14H27F3O2Si/c1-13(2,3)20(4,5)19-12(9-11-18)8-6-7-10-14(15,16)17/h6-7,12,18H,8-11H2,1-5H3/b7-6-/t12-/m0/s1.
What are the key properties of (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooct-5-en-1-ol?
(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooct-5-en-1-ol has a molecular weight of 312.45 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooct-5-en-1-ol is sourced from PubChem (CID 140749985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).