[(2E)-2-[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethyl] acetate

C17H29FO3Si — CID 11809620

IUPAC[(2E)-2-[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethyl] acetate
SMILESC=C1/C(=C/COC(C)=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1F
InChIInChI=1S/C17H29FO3Si/c1-12-14(8-9-20-13(2)19)10-15(11-16(12)18)21-22(6,7)17(3,4)5/h8,15-16H,1,9-11H2,2-7H3/b14-8+/t15-,16-/m1/s1
InChIKeyWHWBFTFWXKLZTC-RCVIBLRSSA-N
MW328.50 g/mol
LogP4.55
Rot. Bonds4

About [(2E)-2-[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethyl] acetate

[(2E)-2-[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethyl] acetate (PubChem CID 11809620) has the molecular formula C17H29FO3Si and a molecular weight of 328.50 g/mol. Its IUPAC name is [(2E)-2-[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethyl] acetate.

Molecular Properties

Compound Name[(2E)-2-[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethyl] acetate
PubChem CID11809620
Molecular FormulaC17H29FO3Si
Molecular Weight328.50 g/mol
Exact Mass328.19
IUPAC Name[(2E)-2-[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethyl] acetate
SMILESC=C1/C(=C/COC(C)=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1F
InChIInChI=1S/C17H29FO3Si/c1-12-14(8-9-20-13(2)19)10-15(11-16(12)18)21-22(6,7)17(3,4)5/h8,15-16H,1,9-11H2,2-7H3/b14-8+/t15-,16-/m1/s1
InChIKeyWHWBFTFWXKLZTC-RCVIBLRSSA-N
XLogP4.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate
CID 10710401
ethyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate
CID 14483734
[(1S)-3-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl] acetate
CID 10966588
methyl (2E)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate
CID 10567287
[(2Z)-2-[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethyl] acetate
CID 10925505
tert-butyl (2E)-2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(fluoromethyl)cyclohex-2-en-1-ylidene]acetate
CID 10948275
tert-butyl (2E)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate
CID 11002792
ethyl (2E)-2-[2-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]-2-fluoroacetate
CID 24756420
[(2E)-2-[(3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethyl] acetate
CID 15755096
[(2E)-2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethyl] acetate
CID 20714763
[(2Z)-2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethyl] acetate
CID 21967611
2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethyl acetate
CID 53724805

Frequently Asked Questions

What is the IUPAC name of [(2E)-2-[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethyl] acetate?
The IUPAC name of [(2E)-2-[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethyl] acetate (CID 11809620) is [(2E)-2-[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethyl] acetate.
What is the SMILES notation for [(2E)-2-[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethyl] acetate?
The canonical SMILES for [(2E)-2-[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethyl] acetate is C=C1/C(=C/COC(C)=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1F.
What is the InChIKey of [(2E)-2-[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethyl] acetate?
The InChIKey is WHWBFTFWXKLZTC-RCVIBLRSSA-N. The full InChI is InChI=1S/C17H29FO3Si/c1-12-14(8-9-20-13(2)19)10-15(11-16(12)18)21-22(6,7)17(3,4)5/h8,15-16H,1,9-11H2,2-7H3/b14-8+/t15-,16-/m1/s1.
What are the key properties of [(2E)-2-[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethyl] acetate?
[(2E)-2-[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethyl] acetate has a molecular weight of 328.50 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethyl] acetate is sourced from PubChem (CID 11809620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).