methyl (5S)-5-[(2R,3aR,4R,5R,6aS)-2-methoxy-5-triethylsilyloxy-4-[(E,3S)-3-triethylsilyloxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-fluoropentanoate

C34H65FO6Si2 — CID 18604463

IUPACmethyl (5S)-5-[(2R,3aR,4R,5R,6aS)-2-methoxy-5-triethylsilyloxy-4-[(E,3S)-3-triethylsilyloxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-fluoropentanoate
SMILESCCCCC[C@@H](/C=C/[C@@H]1[C@H]2C[C@](OC)([C@@H](F)CCCC(=O)OC)O[C@H]2C[C@H]1O[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C34H65FO6Si2/c1-10-17-18-20-27(40-42(11-2,12-3)13-4)23-24-28-29-26-34(38-9,32(35)21-19-22-33(36)37-8)39-30(29)25-31(28)41-43(14-5,15-6)16-7/h23-24,27-32H,10-22,25-26H2,1-9H3/b24-23+/t27-,28+,29+,30-,31+,32-,34+/m0/s1
InChIKeyBTBDGUSDSVZMND-UDBJAGNWSA-N
MW645.06 g/mol
LogP9.35
Rot. Bonds22

About methyl (5S)-5-[(2R,3aR,4R,5R,6aS)-2-methoxy-5-triethylsilyloxy-4-[(E,3S)-3-triethylsilyloxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-fluoropentanoate

methyl (5S)-5-[(2R,3aR,4R,5R,6aS)-2-methoxy-5-triethylsilyloxy-4-[(E,3S)-3-triethylsilyloxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-fluoropentanoate (PubChem CID 18604463) has the molecular formula C34H65FO6Si2 and a molecular weight of 645.06 g/mol. Its IUPAC name is methyl (5S)-5-[(2R,3aR,4R,5R,6aS)-2-methoxy-5-triethylsilyloxy-4-[(E,3S)-3-triethylsilyloxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-fluoropentanoate.

Molecular Properties

Compound Namemethyl (5S)-5-[(2R,3aR,4R,5R,6aS)-2-methoxy-5-triethylsilyloxy-4-[(E,3S)-3-triethylsilyloxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-fluoropentanoate
PubChem CID18604463
Molecular FormulaC34H65FO6Si2
Molecular Weight645.06 g/mol
Exact Mass644.43
IUPAC Namemethyl (5S)-5-[(2R,3aR,4R,5R,6aS)-2-methoxy-5-triethylsilyloxy-4-[(E,3S)-3-triethylsilyloxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-fluoropentanoate
SMILESCCCCC[C@@H](/C=C/[C@@H]1[C@H]2C[C@](OC)([C@@H](F)CCCC(=O)OC)O[C@H]2C[C@H]1O[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C34H65FO6Si2/c1-10-17-18-20-27(40-42(11-2,12-3)13-4)23-24-28-29-26-34(38-9,32(35)21-19-22-33(36)37-8)39-30(29)25-31(28)41-43(14-5,15-6)16-7/h23-24,27-32H,10-22,25-26H2,1-9H3/b24-23+/t27-,28+,29+,30-,31+,32-,34+/m0/s1
InChIKeyBTBDGUSDSVZMND-UDBJAGNWSA-N
XLogP9.35
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.06
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 methyl (5S)-5-[(2R,3aR,4R,5R,6aS)-2-methoxy-5-triethylsilyloxy-4-[(E,3S)-3-triethylsilyloxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-fluoropentanoate with MolForge

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Related Compounds

methyl (5R)-5-[(2S,3aR,4R,5R,6aS)-5-[tert-butyl(diphenyl)silyl]oxy-4-[(E,3S)-3-[tert-butyl(diphenyl)silyl]oxyoct-1-enyl]-2-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-fluoropentanoate
CID 18604460
methyl 7-[(1R,2R,3R)-5-oxo-3-triethylsilyloxy-2-[(E,3S)-3-triethylsilyloxyoct-1-enyl]cyclopentyl]heptanoate
CID 142487381
methyl 7-[3,5-bis(trimethylsilyloxy)-2-(3-trimethylsilyloxyoct-1-enyl)cyclopentyl]heptanoate
CID 634633
methyl (5R)-5-[(3aS,4R,5R,6aS)-5-[tert-butyl(diphenyl)silyl]oxy-4-[(E,3S)-3-[tert-butyl(diphenyl)silyl]oxyoct-1-enyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-yl]-5-fluoropentanoate
CID 70455500
methyl (E)-7-[(1R,2R,3R,5S)-3,5-bis(trimethylsilyloxy)-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoate
CID 102116988
methyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[(1R,2S,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxy-2-(2-triethylsilyloxyethyl)cyclopentyl]hept-6-enoate
CID 11686397
methyl 5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-2-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]hexanoate
CID 146567807
[1-[(1R,3R,5R,6R,8R)-8-[(E,3S)-3-acetyloxyoct-1-enyl]-6-[tert-butyl(dimethyl)silyl]oxy-2-oxabicyclo[3.2.1]octan-3-yl]-5-methoxy-5-oxopentyl]-chloromercury
CID 135045944
methyl (E,10S,13S)-10,13-bis(trimethylsilyloxy)icos-11-enoate
CID 10006194
trans-(3S,4R)-2-methylidene-4-triethylsilyloxy-3-[(E,3S)-3-triethylsilyloxyoct-1-enyl]cyclopentan-1-one
CID 142487363
(3aR,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 70579303
methyl (Z)-11-trimethylsilyloxyoctadec-9-enoate
CID 5366650

Frequently Asked Questions

What is the IUPAC name of methyl (5S)-5-[(2R,3aR,4R,5R,6aS)-2-methoxy-5-triethylsilyloxy-4-[(E,3S)-3-triethylsilyloxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-fluoropentanoate?
The IUPAC name of methyl (5S)-5-[(2R,3aR,4R,5R,6aS)-2-methoxy-5-triethylsilyloxy-4-[(E,3S)-3-triethylsilyloxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-fluoropentanoate (CID 18604463) is methyl (5S)-5-[(2R,3aR,4R,5R,6aS)-2-methoxy-5-triethylsilyloxy-4-[(E,3S)-3-triethylsilyloxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-fluoropentanoate.
What is the SMILES notation for methyl (5S)-5-[(2R,3aR,4R,5R,6aS)-2-methoxy-5-triethylsilyloxy-4-[(E,3S)-3-triethylsilyloxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-fluoropentanoate?
The canonical SMILES for methyl (5S)-5-[(2R,3aR,4R,5R,6aS)-2-methoxy-5-triethylsilyloxy-4-[(E,3S)-3-triethylsilyloxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-fluoropentanoate is CCCCC[C@@H](/C=C/[C@@H]1[C@H]2C[C@](OC)([C@@H](F)CCCC(=O)OC)O[C@H]2C[C@H]1O[Si](CC)(CC)CC)O[Si](CC)(CC)CC.
What is the InChIKey of methyl (5S)-5-[(2R,3aR,4R,5R,6aS)-2-methoxy-5-triethylsilyloxy-4-[(E,3S)-3-triethylsilyloxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-fluoropentanoate?
The InChIKey is BTBDGUSDSVZMND-UDBJAGNWSA-N. The full InChI is InChI=1S/C34H65FO6Si2/c1-10-17-18-20-27(40-42(11-2,12-3)13-4)23-24-28-29-26-34(38-9,32(35)21-19-22-33(36)37-8)39-30(29)25-31(28)41-43(14-5,15-6)16-7/h23-24,27-32H,10-22,25-26H2,1-9H3/b24-23+/t27-,28+,29+,30-,31+,32-,34+/m0/s1.
What are the key properties of methyl (5S)-5-[(2R,3aR,4R,5R,6aS)-2-methoxy-5-triethylsilyloxy-4-[(E,3S)-3-triethylsilyloxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-fluoropentanoate?
methyl (5S)-5-[(2R,3aR,4R,5R,6aS)-2-methoxy-5-triethylsilyloxy-4-[(E,3S)-3-triethylsilyloxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-fluoropentanoate has a molecular weight of 645.06 g/mol, XLogP of 9.35, 22 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S)-5-[(2R,3aR,4R,5R,6aS)-2-methoxy-5-triethylsilyloxy-4-[(E,3S)-3-triethylsilyloxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-fluoropentanoate is sourced from PubChem (CID 18604463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).