[6-[tert-butyl(dimethyl)silyl]oxy-7,7,7-trifluorohept-1-en-4-yl] prop-2-enoate

C16H27F3O3Si — CID 46837217

IUPAC[6-[tert-butyl(dimethyl)silyl]oxy-7,7,7-trifluorohept-1-en-4-yl] prop-2-enoate
SMILESC=CCC(CC(O[Si](C)(C)C(C)(C)C)C(F)(F)F)OC(=O)C=C
InChIInChI=1S/C16H27F3O3Si/c1-8-10-12(21-14(20)9-2)11-13(16(17,18)19)22-23(6,7)15(3,4)5/h8-9,12-13H,1-2,10-11H2,3-7H3
InChIKeyUJYLRCBIPITDOU-UHFFFAOYSA-N
MW352.47 g/mol
LogP5.00
Rot. Bonds8

About [6-[tert-butyl(dimethyl)silyl]oxy-7,7,7-trifluorohept-1-en-4-yl] prop-2-enoate

[6-[tert-butyl(dimethyl)silyl]oxy-7,7,7-trifluorohept-1-en-4-yl] prop-2-enoate (PubChem CID 46837217) has the molecular formula C16H27F3O3Si and a molecular weight of 352.47 g/mol. Its IUPAC name is [6-[tert-butyl(dimethyl)silyl]oxy-7,7,7-trifluorohept-1-en-4-yl] prop-2-enoate.

Molecular Properties

Compound Name[6-[tert-butyl(dimethyl)silyl]oxy-7,7,7-trifluorohept-1-en-4-yl] prop-2-enoate
PubChem CID46837217
Molecular FormulaC16H27F3O3Si
Molecular Weight352.47 g/mol
Exact Mass352.17
IUPAC Name[6-[tert-butyl(dimethyl)silyl]oxy-7,7,7-trifluorohept-1-en-4-yl] prop-2-enoate
SMILESC=CCC(CC(O[Si](C)(C)C(C)(C)C)C(F)(F)F)OC(=O)C=C
InChIInChI=1S/C16H27F3O3Si/c1-8-10-12(21-14(20)9-2)11-13(16(17,18)19)22-23(6,7)15(3,4)5/h8-9,12-13H,1-2,10-11H2,3-7H3
InChIKeyUJYLRCBIPITDOU-UHFFFAOYSA-N
XLogP5.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.47
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [6-[tert-butyl(dimethyl)silyl]oxy-7,7,7-trifluorohept-1-en-4-yl] prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] prop-2-enoate
CID 11594572
[(3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-en-3-yl] prop-2-enoate
CID 138976584
[(3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl] prop-2-enoate
CID 145945198
2-[2-[Tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoropropyl]-2,3-dihydropyran-6-one
CID 46837223
[(3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-yl] prop-2-enoate
CID 16726241
[(2S,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-yl] prop-2-enoate
CID 11186056
[(3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-yl] prop-2-enoate
CID 11392378
[(3R,4S)-4-methyl-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] prop-2-enoate
CID 16745113

Frequently Asked Questions

What is the IUPAC name of [6-[tert-butyl(dimethyl)silyl]oxy-7,7,7-trifluorohept-1-en-4-yl] prop-2-enoate?
The IUPAC name of [6-[tert-butyl(dimethyl)silyl]oxy-7,7,7-trifluorohept-1-en-4-yl] prop-2-enoate (CID 46837217) is [6-[tert-butyl(dimethyl)silyl]oxy-7,7,7-trifluorohept-1-en-4-yl] prop-2-enoate.
What is the SMILES notation for [6-[tert-butyl(dimethyl)silyl]oxy-7,7,7-trifluorohept-1-en-4-yl] prop-2-enoate?
The canonical SMILES for [6-[tert-butyl(dimethyl)silyl]oxy-7,7,7-trifluorohept-1-en-4-yl] prop-2-enoate is C=CCC(CC(O[Si](C)(C)C(C)(C)C)C(F)(F)F)OC(=O)C=C.
What is the InChIKey of [6-[tert-butyl(dimethyl)silyl]oxy-7,7,7-trifluorohept-1-en-4-yl] prop-2-enoate?
The InChIKey is UJYLRCBIPITDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3O3Si/c1-8-10-12(21-14(20)9-2)11-13(16(17,18)19)22-23(6,7)15(3,4)5/h8-9,12-13H,1-2,10-11H2,3-7H3.
What are the key properties of [6-[tert-butyl(dimethyl)silyl]oxy-7,7,7-trifluorohept-1-en-4-yl] prop-2-enoate?
[6-[tert-butyl(dimethyl)silyl]oxy-7,7,7-trifluorohept-1-en-4-yl] prop-2-enoate has a molecular weight of 352.47 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[tert-butyl(dimethyl)silyl]oxy-7,7,7-trifluorohept-1-en-4-yl] prop-2-enoate is sourced from PubChem (CID 46837217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).