(Z)-7-[(1R,2R,3R,5S)-2-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-difluorooctyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid

C26H48F2O5Si — CID 67703199

IUPAC(Z)-7-[(1R,2R,3R,5S)-2-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-difluorooctyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
SMILESCCCC(F)(F)[C@@H](CCC[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H48F2O5Si/c1-7-17-26(27,28)23(33-34(5,6)25(2,3)4)15-12-14-20-19(21(29)18-22(20)30)13-10-8-9-11-16-24(31)32/h8,10,19-23,29-30H,7,9,11-18H2,1-6H3,(H,31,32)/b10-8-/t19-,20-,21+,22-,23-/m1/s1
InChIKeyZTNVOOCXWDIXSU-WGNPZZMKSA-N
MW506.75 g/mol
LogP6.54
Rot. Bonds15

About (Z)-7-[(1R,2R,3R,5S)-2-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-difluorooctyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid

(Z)-7-[(1R,2R,3R,5S)-2-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-difluorooctyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid (PubChem CID 67703199) has the molecular formula C26H48F2O5Si and a molecular weight of 506.75 g/mol. Its IUPAC name is (Z)-7-[(1R,2R,3R,5S)-2-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-difluorooctyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid.

Molecular Properties

Compound Name(Z)-7-[(1R,2R,3R,5S)-2-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-difluorooctyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
PubChem CID67703199
Molecular FormulaC26H48F2O5Si
Molecular Weight506.75 g/mol
Exact Mass506.32
IUPAC Name(Z)-7-[(1R,2R,3R,5S)-2-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-difluorooctyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
SMILESCCCC(F)(F)[C@@H](CCC[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H48F2O5Si/c1-7-17-26(27,28)23(33-34(5,6)25(2,3)4)15-12-14-20-19(21(29)18-22(20)30)13-10-8-9-11-16-24(31)32/h8,10,19-23,29-30H,7,9,11-18H2,1-6H3,(H,31,32)/b10-8-/t19-,20-,21+,22-,23-/m1/s1
InChIKeyZTNVOOCXWDIXSU-WGNPZZMKSA-N
XLogP6.54
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.75
LogP ≤ 56.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-7-[(1R,2R,3R,5S)-2-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-difluorooctyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid 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

(Z)-7-[(1R,2R,3R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorooctyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid
CID 166451449
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-phosphanyloxyhexyl]cyclopentyl]hept-5-enoic acid
CID 90717045
(Z)-9-[(2R,3R,5S)-2-(4,4-difluoro-3-oxooctyl)-3,5-dihydroxycyclopentyl]non-7-enoic acid
CID 67635662
(Z)-7-[(1R,2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-hydroxycyclopentyl]hept-5-enoic acid
CID 10507519
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxydecyl]cyclopentyl]hept-5-enoic acid
CID 70827516
(E)-7-[3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid
CID 5354032
(Z)-7-[(1R,2R,5S)-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-hydroxycyclopent-3-en-1-yl]hept-5-enoic acid
CID 10972422
(Z)-7-[(5R)-2-[3-[dimethyl(propan-2-yl)silyl]oxy-4,4-dimethyloctyl]-5-hydroxycyclopentyl]hept-5-enoic acid
CID 70601128
(Z)-7-[(1R,2R,3R,5S)-2-(4,4-difluoro-3-hydroxyoctyl)-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid
CID 15222228
(Z)-7-[(1R)-2-[3-[tert-butyl(dimethyl)silyl]oxyoctyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid
CID 70390007
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(4S)-4-hydroxy-4-methylnonan-2-yl]cyclopentyl]hept-5-enoic acid
CID 129291322
(Z)-7-[(1S,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 11527692

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(1R,2R,3R,5S)-2-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-difluorooctyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid?
The IUPAC name of (Z)-7-[(1R,2R,3R,5S)-2-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-difluorooctyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid (CID 67703199) is (Z)-7-[(1R,2R,3R,5S)-2-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-difluorooctyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid.
What is the SMILES notation for (Z)-7-[(1R,2R,3R,5S)-2-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-difluorooctyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid?
The canonical SMILES for (Z)-7-[(1R,2R,3R,5S)-2-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-difluorooctyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid is CCCC(F)(F)[C@@H](CCC[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z)-7-[(1R,2R,3R,5S)-2-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-difluorooctyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid?
The InChIKey is ZTNVOOCXWDIXSU-WGNPZZMKSA-N. The full InChI is InChI=1S/C26H48F2O5Si/c1-7-17-26(27,28)23(33-34(5,6)25(2,3)4)15-12-14-20-19(21(29)18-22(20)30)13-10-8-9-11-16-24(31)32/h8,10,19-23,29-30H,7,9,11-18H2,1-6H3,(H,31,32)/b10-8-/t19-,20-,21+,22-,23-/m1/s1.
What are the key properties of (Z)-7-[(1R,2R,3R,5S)-2-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-difluorooctyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid?
(Z)-7-[(1R,2R,3R,5S)-2-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-difluorooctyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid has a molecular weight of 506.75 g/mol, XLogP of 6.54, 15 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[(1R,2R,3R,5S)-2-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-difluorooctyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 67703199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).