(Z)-7-[(1R,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid

C24H44O6Si — CID 13080736

IUPAC(Z)-7-[(1R,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1OC1CCCCO1
InChIInChI=1S/C24H44O6Si/c1-24(2,3)31(4,5)29-17-19-18(12-8-6-7-9-13-22(26)27)20(25)16-21(19)30-23-14-10-11-15-28-23/h6,8,18-21,23,25H,7,9-17H2,1-5H3,(H,26,27)/b8-6-/t18-,19-,20+,21-,23?/m1/s1
InChIKeyLDRDALYMRZJWSM-XZKIWDHXSA-N
MW456.70 g/mol
LogP5.12
Rot. Bonds11

About (Z)-7-[(1R,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid

(Z)-7-[(1R,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid (PubChem CID 13080736) has the molecular formula C24H44O6Si and a molecular weight of 456.70 g/mol. Its IUPAC name is (Z)-7-[(1R,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid.

Molecular Properties

Compound Name(Z)-7-[(1R,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid
PubChem CID13080736
Molecular FormulaC24H44O6Si
Molecular Weight456.70 g/mol
Exact Mass456.29
IUPAC Name(Z)-7-[(1R,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1OC1CCCCO1
InChIInChI=1S/C24H44O6Si/c1-24(2,3)31(4,5)29-17-19-18(12-8-6-7-9-13-22(26)27)20(25)16-21(19)30-23-14-10-11-15-28-23/h6,8,18-21,23,25H,7,9-17H2,1-5H3,(H,26,27)/b8-6-/t18-,19-,20+,21-,23?/m1/s1
InChIKeyLDRDALYMRZJWSM-XZKIWDHXSA-N
XLogP5.12
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.70
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid with MolForge

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Launch Full Analysis

Related Compounds

Agn 191976
CID 73755173
(Z)-isopropyl 7-((1R,2S,3S,5S)-3-fluoro-2-(hydroxymethyl)-5-(tetrahydro-2H-pyran-2-yloxy)cyclopentyl)hept-5-enoate
CID 12073624
(E)-7-[(1R,2R,3R,5S)-2-(4,4-difluoro-3-hydroxyoctyl)-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid
CID 15222227
(Z)-7-((1R,2R,3R,5S)-2-(4,4-difluoro-3-hydroxyoctyl)-5-hydroxy-3-(tetrahydro-2H-pyran-2-yloxy)cyclopentyl)hept-5-enoic acid
CID 15222228
methyl (7S)-7-fluoro-7-[(1R,2R,3R,5S)-5-hydroxy-2-oct-1-enyl-3-(oxan-2-yloxy)cyclopentyl]-5-methylhept-5-enoate
CID 56991013
methyl 7-[(1R,2R,3R,5S)-2-[4-[tert-butyl(dimethyl)silyl]oxy-5,5-difluorooctyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoate
CID 56998241
methyl 7-[(1R,2R,3R,5S)-2-[(4R)-5,5-difluoro-4-hydroxyoctyl]-5-hydroxy-3-[(2S)-oxan-2-yl]oxycyclopentyl]hept-5-enoate
CID 57197550
(Z)-7-((1R,2R,3R,5S)-2-((E)-3,3-difluoro-4-(tetrahydro-2H-pyran-2-yloxy)oct-1-enyl)-3,5-dihydroxycyclopentyl)hept-5-enoic Acid
CID 57693005
(Z)-7-((1R,2R,3R,5S)-2-((E)-3,3-difluorooct-1-enyl)-5-hydroxy-3-(tetrahydro-2H-pyran-2-yloxy)cyclopentyl)hept-5-enoic Acid
CID 57693007
(Z)-methyl 7-((1R,2R,3R,5S)-2-((E)-3,3-difluorooct-1-enyl)-5-hydroxy-3-(tetrahydro-2H-pyran-2-yloxy)cyclopentyl)hept-5-enoate
CID 57693033
propan-2-yl 9-[(1R,2R,3R,5S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorodec-1-enyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]nonanoate
CID 59910698
9-[(1R,2R,3R,5S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorodec-1-enyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]nonanoic acid
CID 59910701

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(1R,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid?
The IUPAC name of (Z)-7-[(1R,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid (CID 13080736) is (Z)-7-[(1R,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid.
What is the SMILES notation for (Z)-7-[(1R,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid?
The canonical SMILES for (Z)-7-[(1R,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid is CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1OC1CCCCO1.
What is the InChIKey of (Z)-7-[(1R,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid?
The InChIKey is LDRDALYMRZJWSM-XZKIWDHXSA-N. The full InChI is InChI=1S/C24H44O6Si/c1-24(2,3)31(4,5)29-17-19-18(12-8-6-7-9-13-22(26)27)20(25)16-21(19)30-23-14-10-11-15-28-23/h6,8,18-21,23,25H,7,9-17H2,1-5H3,(H,26,27)/b8-6-/t18-,19-,20+,21-,23?/m1/s1.
What are the key properties of (Z)-7-[(1R,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid?
(Z)-7-[(1R,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid has a molecular weight of 456.70 g/mol, XLogP of 5.12, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[(1R,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 13080736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).