methyl (5R)-5-[(2R,3aR,4S,5R,6aS)-5-trimethylsilyloxy-4-(trimethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-iodopentanoate

C20H39IO5Si2 — CID 11006064

IUPACmethyl (5R)-5-[(2R,3aR,4S,5R,6aS)-5-trimethylsilyloxy-4-(trimethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-iodopentanoate
SMILESCOC(=O)CCC[C@@H](I)[C@H]1C[C@@H]2[C@@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)C[C@@H]2O1
InChIInChI=1S/C20H39IO5Si2/c1-23-20(22)10-8-9-16(21)19-11-14-15(13-24-27(2,3)4)18(12-17(14)25-19)26-28(5,6)7/h14-19H,8-13H2,1-7H3/t14-,15-,16-,17+,18-,19-/m1/s1
InChIKeyNSNZEQUCVABNDI-WVXCVLBUSA-N
MW542.60 g/mol
LogP5.00
Rot. Bonds10

About methyl (5R)-5-[(2R,3aR,4S,5R,6aS)-5-trimethylsilyloxy-4-(trimethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-iodopentanoate

methyl (5R)-5-[(2R,3aR,4S,5R,6aS)-5-trimethylsilyloxy-4-(trimethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-iodopentanoate (PubChem CID 11006064) has the molecular formula C20H39IO5Si2 and a molecular weight of 542.60 g/mol. Its IUPAC name is methyl (5R)-5-[(2R,3aR,4S,5R,6aS)-5-trimethylsilyloxy-4-(trimethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-iodopentanoate.

Molecular Properties

Compound Namemethyl (5R)-5-[(2R,3aR,4S,5R,6aS)-5-trimethylsilyloxy-4-(trimethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-iodopentanoate
PubChem CID11006064
Molecular FormulaC20H39IO5Si2
Molecular Weight542.60 g/mol
Exact Mass542.14
IUPAC Namemethyl (5R)-5-[(2R,3aR,4S,5R,6aS)-5-trimethylsilyloxy-4-(trimethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-iodopentanoate
SMILESCOC(=O)CCC[C@@H](I)[C@H]1C[C@@H]2[C@@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)C[C@@H]2O1
InChIInChI=1S/C20H39IO5Si2/c1-23-20(22)10-8-9-16(21)19-11-14-15(13-24-27(2,3)4)18(12-17(14)25-19)26-28(5,6)7/h14-19H,8-13H2,1-7H3/t14-,15-,16-,17+,18-,19-/m1/s1
InChIKeyNSNZEQUCVABNDI-WVXCVLBUSA-N
XLogP5.00
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.60
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (5R)-5-[(2R,3aR,4S,5R,6aS)-5-trimethylsilyloxy-4-(trimethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-iodopentanoate with MolForge

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Launch Full Analysis

Related Compounds

methyl 5-[5-trimethylsilyloxy-4-(3-trimethylsilyloxyoctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]pentanoate
CID 582337
methyl (5S)-5-[(2S,3aR,4S,5R,6aS)-4-[(3R)-4,4-difluoro-3-hydroxyoct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-iodopentanoate
CID 57192941
methyl 5-[(3aR,4R,5R,6aR)-5-hydroxy-4-[(E,3S,5S)-3-hydroxy-5-methylnon-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-iodopentanoate
CID 70575163
methyl 5-[(3aR,4R,5R,6aR)-5-hydroxy-4-[(3S,5S)-3-hydroxy-5-methylnon-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-iodopentanoate
CID 57117997
methyl (5S)-5-[(2S,3aR,4S,5R,6aS)-5-(hydroxymethyl)-4-[(E,3R,4R)-3-hydroxy-4-(trifluoromethyl)oct-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-iodopentanoate
CID 22813288
methyl 5-[(3aR,4R,5R,6aR)-5-hydroxy-4-[(3S)-3-hydroxyoctyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-bromopentanoate
CID 70530690
methyl 8-[3-(8-trimethylsilyloxyoctyl)oxiran-2-yl]octanoate
CID 554388
methyl 7-[3,5-bis(trimethylsilyloxy)-2-(3-trimethylsilyloxyoct-1-enyl)cyclopentyl]heptanoate
CID 634633
methyl (5R)-5-hydroxy-5-trimethylsilylpentanoate
CID 88576652
[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 13-(3-pentyloxiran-2-yl)-5-trimethylsilyloxytridecanoate
CID 91696955
methyl (E)-7-[(1R,2R,3R,5S)-3,5-bis(trimethylsilyloxy)-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]hept-5-enoate
CID 102116988

Frequently Asked Questions

What is the IUPAC name of methyl (5R)-5-[(2R,3aR,4S,5R,6aS)-5-trimethylsilyloxy-4-(trimethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-iodopentanoate?
The IUPAC name of methyl (5R)-5-[(2R,3aR,4S,5R,6aS)-5-trimethylsilyloxy-4-(trimethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-iodopentanoate (CID 11006064) is methyl (5R)-5-[(2R,3aR,4S,5R,6aS)-5-trimethylsilyloxy-4-(trimethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-iodopentanoate.
What is the SMILES notation for methyl (5R)-5-[(2R,3aR,4S,5R,6aS)-5-trimethylsilyloxy-4-(trimethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-iodopentanoate?
The canonical SMILES for methyl (5R)-5-[(2R,3aR,4S,5R,6aS)-5-trimethylsilyloxy-4-(trimethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-iodopentanoate is COC(=O)CCC[C@@H](I)[C@H]1C[C@@H]2[C@@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)C[C@@H]2O1.
What is the InChIKey of methyl (5R)-5-[(2R,3aR,4S,5R,6aS)-5-trimethylsilyloxy-4-(trimethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-iodopentanoate?
The InChIKey is NSNZEQUCVABNDI-WVXCVLBUSA-N. The full InChI is InChI=1S/C20H39IO5Si2/c1-23-20(22)10-8-9-16(21)19-11-14-15(13-24-27(2,3)4)18(12-17(14)25-19)26-28(5,6)7/h14-19H,8-13H2,1-7H3/t14-,15-,16-,17+,18-,19-/m1/s1.
What are the key properties of methyl (5R)-5-[(2R,3aR,4S,5R,6aS)-5-trimethylsilyloxy-4-(trimethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-iodopentanoate?
methyl (5R)-5-[(2R,3aR,4S,5R,6aS)-5-trimethylsilyloxy-4-(trimethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-iodopentanoate has a molecular weight of 542.60 g/mol, XLogP of 5.00, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R)-5-[(2R,3aR,4S,5R,6aS)-5-trimethylsilyloxy-4-(trimethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-iodopentanoate is sourced from PubChem (CID 11006064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).