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

C17H29FO3Si — CID 14483734

IUPACethyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate
SMILESC=C1/C(=C\C(=O)OCC)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1F
InChIInChI=1S/C17H29FO3Si/c1-8-20-16(19)10-13-9-14(11-15(18)12(13)2)21-22(6,7)17(3,4)5/h10,14-15H,2,8-9,11H2,1,3-7H3/b13-10-/t14-,15+/m1/s1
InChIKeyZVZYGJSQPNSFCC-GHRAKNKNSA-N
MW328.50 g/mol
LogP4.55
Rot. Bonds4

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

ethyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate (PubChem CID 14483734) has the molecular formula C17H29FO3Si and a molecular weight of 328.50 g/mol. Its IUPAC name is ethyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate
PubChem CID14483734
Molecular FormulaC17H29FO3Si
Molecular Weight328.50 g/mol
Exact Mass328.19
IUPAC Nameethyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate
SMILESC=C1/C(=C\C(=O)OCC)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1F
InChIInChI=1S/C17H29FO3Si/c1-8-20-16(19)10-13-9-14(11-15(18)12(13)2)21-22(6,7)17(3,4)5/h10,14-15H,2,8-9,11H2,1,3-7H3/b13-10-/t14-,15+/m1/s1
InChIKeyZVZYGJSQPNSFCC-GHRAKNKNSA-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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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

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Launch Full Analysis

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)-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
(9S,9aR)-9-[tert-butyl(dimethyl)silyl]oxy-7,8,9,9a-tetrahydro-6H-cyclohepta[b]pyran-2-one
CID 12162141
2-[(2S,4Z)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-(2-methoxy-2-oxoethylidene)-2,3-dihydropyran-2-yl]ethyl 2,2-dimethylpropanoate
CID 138969564
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

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate?
The IUPAC name of ethyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate (CID 14483734) is ethyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate is C=C1/C(=C\C(=O)OCC)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1F.
What is the InChIKey of ethyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate?
The InChIKey is ZVZYGJSQPNSFCC-GHRAKNKNSA-N. The full InChI is InChI=1S/C17H29FO3Si/c1-8-20-16(19)10-13-9-14(11-15(18)12(13)2)21-22(6,7)17(3,4)5/h10,14-15H,2,8-9,11H2,1,3-7H3/b13-10-/t14-,15+/m1/s1.
What are the key properties of ethyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate?
ethyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]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 ethyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate is sourced from PubChem (CID 14483734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).