methyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate

C16H27FO3Si — CID 10710401

IUPACmethyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate
SMILESC=C1/C(=C\C(=O)OC)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1F
InChIInChI=1S/C16H27FO3Si/c1-11-12(9-15(18)19-5)8-13(10-14(11)17)20-21(6,7)16(2,3)4/h9,13-14H,1,8,10H2,2-7H3/b12-9-/t13-,14+/m1/s1
InChIKeyQDLVLZLFCAFGIE-CUSVYIHLSA-N
MW314.47 g/mol
LogP4.16
Rot. Bonds3

About methyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate

methyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate (PubChem CID 10710401) has the molecular formula C16H27FO3Si and a molecular weight of 314.47 g/mol. Its IUPAC name is methyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate
PubChem CID10710401
Molecular FormulaC16H27FO3Si
Molecular Weight314.47 g/mol
Exact Mass314.17
IUPAC Namemethyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate
SMILESC=C1/C(=C\C(=O)OC)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1F
InChIInChI=1S/C16H27FO3Si/c1-11-12(9-15(18)19-5)8-13(10-14(11)17)20-21(6,7)16(2,3)4/h9,13-14H,1,8,10H2,2-7H3/b12-9-/t13-,14+/m1/s1
InChIKeyQDLVLZLFCAFGIE-CUSVYIHLSA-N
XLogP4.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate with MolForge

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Related Compounds

ethyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate
CID 14483734
ethyl (2Z)-2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]acetate
CID 10983057
Ethyl (E)-2-((3S,5R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)acetate
CID 11080703
1-O-ethyl 4-O-[(1R)-3-[(E)-2-trimethylsilylethenyl]cyclohex-2-en-1-yl] (Z)-but-2-enedioate
CID 162411206
ethyl (2E)-2-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-fluoroethyl)-2-methylidenecyclohexylidene]acetate
CID 10546208
methyl (2E)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate
CID 10567287
ethyl (2Z)-2-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-fluoroethyl)-2-methylidenecyclohexylidene]acetate
CID 10642032
[(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
[(2E)-2-[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethyl] acetate
CID 11809620
ethyl (2E)-2-[2-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]-2-fluoroacetate
CID 24756420

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate?
The IUPAC name of methyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate (CID 10710401) is methyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate.
What is the SMILES notation for methyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate?
The canonical SMILES for methyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate is C=C1/C(=C\C(=O)OC)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1F.
What is the InChIKey of methyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate?
The InChIKey is QDLVLZLFCAFGIE-CUSVYIHLSA-N. The full InChI is InChI=1S/C16H27FO3Si/c1-11-12(9-15(18)19-5)8-13(10-14(11)17)20-21(6,7)16(2,3)4/h9,13-14H,1,8,10H2,2-7H3/b12-9-/t13-,14+/m1/s1.
What are the key properties of methyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate?
methyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate has a molecular weight of 314.47 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate is sourced from PubChem (CID 10710401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).