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

C14H25F3O2Si — CID 140749986

IUPAC(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooct-5-enal
SMILESCC(C)(C)[Si](C)(C)O[C@H](CC=O)C/C=C\CC(F)(F)F
InChIInChI=1S/C14H25F3O2Si/c1-13(2,3)20(4,5)19-12(9-11-18)8-6-7-10-14(15,16)17/h6-7,11-12H,8-10H2,1-5H3/b7-6-/t12-/m0/s1
InChIKeyBNYJJFLYRBLPHQ-DGMVEKRQSA-N
MW310.43 g/mol
LogP4.86
Rot. Bonds7

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

(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooct-5-enal (PubChem CID 140749986) has the molecular formula C14H25F3O2Si and a molecular weight of 310.43 g/mol. Its IUPAC name is (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooct-5-enal.

Molecular Properties

Compound Name(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooct-5-enal
PubChem CID140749986
Molecular FormulaC14H25F3O2Si
Molecular Weight310.43 g/mol
Exact Mass310.16
IUPAC Name(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooct-5-enal
SMILESCC(C)(C)[Si](C)(C)O[C@H](CC=O)C/C=C\CC(F)(F)F
InChIInChI=1S/C14H25F3O2Si/c1-13(2,3)20(4,5)19-12(9-11-18)8-6-7-10-14(15,16)17/h6-7,11-12H,8-10H2,1-5H3/b7-6-/t12-/m0/s1
InChIKeyBNYJJFLYRBLPHQ-DGMVEKRQSA-N
XLogP4.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-enal?
The IUPAC name of (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooct-5-enal (CID 140749986) is (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooct-5-enal.
What is the SMILES notation for (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooct-5-enal?
The canonical SMILES for (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooct-5-enal is CC(C)(C)[Si](C)(C)O[C@H](CC=O)C/C=C\CC(F)(F)F.
What is the InChIKey of (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooct-5-enal?
The InChIKey is BNYJJFLYRBLPHQ-DGMVEKRQSA-N. The full InChI is InChI=1S/C14H25F3O2Si/c1-13(2,3)20(4,5)19-12(9-11-18)8-6-7-10-14(15,16)17/h6-7,11-12H,8-10H2,1-5H3/b7-6-/t12-/m0/s1.
What are the key properties of (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooct-5-enal?
(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooct-5-enal has a molecular weight of 310.43 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 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-enal is sourced from PubChem (CID 140749986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).