2-hydroxy-7-[(1R,5R)-2-oxo-5-[4-(trifluoromethyl)-4-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoic acid

C24H39F3O5Si — CID 54377328

IUPAC2-hydroxy-7-[(1R,5R)-2-oxo-5-[4-(trifluoromethyl)-4-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
SMILESCCCCC(CC=C[C@H]1CCC(=O)[C@@H]1CC=CCCC(O)C(=O)O)(O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C24H39F3O5Si/c1-5-6-16-23(24(25,26)27,32-33(2,3)4)17-10-11-18-14-15-20(28)19(18)12-8-7-9-13-21(29)22(30)31/h7-8,10-11,18-19,21,29H,5-6,9,12-17H2,1-4H3,(H,30,31)/t18-,19+,21?,23?/m0/s1
InChIKeyUXLLDFWXCRKSPA-BYUXKFDVSA-N
MW492.65 g/mol
LogP6.04
Rot. Bonds14

About 2-hydroxy-7-[(1R,5R)-2-oxo-5-[4-(trifluoromethyl)-4-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoic acid

2-hydroxy-7-[(1R,5R)-2-oxo-5-[4-(trifluoromethyl)-4-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoic acid (PubChem CID 54377328) has the molecular formula C24H39F3O5Si and a molecular weight of 492.65 g/mol. Its IUPAC name is 2-hydroxy-7-[(1R,5R)-2-oxo-5-[4-(trifluoromethyl)-4-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoic acid.

Molecular Properties

Compound Name2-hydroxy-7-[(1R,5R)-2-oxo-5-[4-(trifluoromethyl)-4-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
PubChem CID54377328
Molecular FormulaC24H39F3O5Si
Molecular Weight492.65 g/mol
Exact Mass492.25
IUPAC Name2-hydroxy-7-[(1R,5R)-2-oxo-5-[4-(trifluoromethyl)-4-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
SMILESCCCCC(CC=C[C@H]1CCC(=O)[C@@H]1CC=CCCC(O)C(=O)O)(O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C24H39F3O5Si/c1-5-6-16-23(24(25,26)27,32-33(2,3)4)17-10-11-18-14-15-20(28)19(18)12-8-7-9-13-21(29)22(30)31/h7-8,10-11,18-19,21,29H,5-6,9,12-17H2,1-4H3,(H,30,31)/t18-,19+,21?,23?/m0/s1
InChIKeyUXLLDFWXCRKSPA-BYUXKFDVSA-N
XLogP6.04
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.65
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-7-[(1R,2R,3R)-2-[(E)-4-(difluoromethyl)-4-trimethylsilyloxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]hept-5-enoic acid
CID 21764787
(Z)-7-[(1R,2R,3R)-3-hydroxy-5-oxo-2-[(E)-4-(trifluoromethyl)-4-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 21764789
(Z)-7-[(1R,2R,3R)-2-[(E)-4-(fluoromethyl)-4-trimethylsilyloxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]hept-5-enoic acid
CID 21764791
7-[(1R,2R,3R)-2-[(4R)-4-fluoro-4-methyloct-1-enyl]-3-methyl-5-oxocyclopentyl]-2-hydroxyhept-5-enoic acid
CID 53729541
7-[(1R,2R)-2-[(4S)-4-(1-fluoroethenyl)oct-1-enyl]-5-oxocyclopentyl]-2-hydroxyhept-5-enoic acid
CID 53821329
7-[(1R,2R)-2-[(4R)-4-(1-fluoroethenyl)oct-1-enyl]-5-oxocyclopentyl]-2-hydroxyhept-5-enoic acid
CID 53821330
2-hydroxy-7-[(1R,2R)-2-(4-hydroxyoct-1-enyl)-5-oxocyclopentyl]-2-(trifluoromethyl)heptanoic acid
CID 53995295
7-[(1R,2R,3R)-3-fluoro-2-oct-1-enyl-5-oxocyclopentyl]-2-hydroxyhept-5-enoic acid
CID 54074593
7-[(1R,2R)-2-[4-(difluoromethyl)-4-trimethylsilyloxyoct-1-enyl]-5-oxocyclopentyl]-2-hydroxyhept-5-enoic acid
CID 54098886
7-[(1R,2R)-2-[(3R)-4-fluoro-3-hydroxydeca-1,4-dienyl]-5-oxocyclopentyl]-2-hydroxyhept-5-enoic acid
CID 54158140
7-[(1R,2R)-2-[4-(fluoromethyl)-4-trimethylsilyloxyoct-1-enyl]-5-oxocyclopentyl]-2-hydroxyhept-5-enoic acid
CID 54162479
(2R)-2-hydroxy-7-[(1R,2S,3R)-3-methyl-2-[(4R)-4-methyl-4-(trifluoromethyl)octyl]-5-oxocyclopentyl]hept-5-enoic acid
CID 54213360

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-7-[(1R,5R)-2-oxo-5-[4-(trifluoromethyl)-4-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoic acid?
The IUPAC name of 2-hydroxy-7-[(1R,5R)-2-oxo-5-[4-(trifluoromethyl)-4-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoic acid (CID 54377328) is 2-hydroxy-7-[(1R,5R)-2-oxo-5-[4-(trifluoromethyl)-4-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoic acid.
What is the SMILES notation for 2-hydroxy-7-[(1R,5R)-2-oxo-5-[4-(trifluoromethyl)-4-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoic acid?
The canonical SMILES for 2-hydroxy-7-[(1R,5R)-2-oxo-5-[4-(trifluoromethyl)-4-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoic acid is CCCCC(CC=C[C@H]1CCC(=O)[C@@H]1CC=CCCC(O)C(=O)O)(O[Si](C)(C)C)C(F)(F)F.
What is the InChIKey of 2-hydroxy-7-[(1R,5R)-2-oxo-5-[4-(trifluoromethyl)-4-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoic acid?
The InChIKey is UXLLDFWXCRKSPA-BYUXKFDVSA-N. The full InChI is InChI=1S/C24H39F3O5Si/c1-5-6-16-23(24(25,26)27,32-33(2,3)4)17-10-11-18-14-15-20(28)19(18)12-8-7-9-13-21(29)22(30)31/h7-8,10-11,18-19,21,29H,5-6,9,12-17H2,1-4H3,(H,30,31)/t18-,19+,21?,23?/m0/s1.
What are the key properties of 2-hydroxy-7-[(1R,5R)-2-oxo-5-[4-(trifluoromethyl)-4-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoic acid?
2-hydroxy-7-[(1R,5R)-2-oxo-5-[4-(trifluoromethyl)-4-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoic acid has a molecular weight of 492.65 g/mol, XLogP of 6.04, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-7-[(1R,5R)-2-oxo-5-[4-(trifluoromethyl)-4-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 54377328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).