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

C39H82O6Si4 — CID 11686397

IUPACmethyl (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
SMILESCC[Si](CC)(CC)OCC[C@H]1[C@@H](/C=C/[C@H](CCCC(=O)OC)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C39H82O6Si4/c1-18-48(19-2,20-3)42-30-29-34-33(28-27-32(25-24-26-37(40)41-13)43-46(14,15)38(7,8)9)35(44-47(16,17)39(10,11)12)31-36(34)45-49(21-4,22-5)23-6/h27-28,32-36H,18-26,29-31H2,1-17H3/b28-27+/t32-,33+,34-,35-,36+/m0/s1
InChIKeyUMOOSOTYPYYJMI-RUOOXPHJSA-N
MW759.42 g/mol
LogP12.11
Rot. Bonds22

About 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

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 (PubChem CID 11686397) has the molecular formula C39H82O6Si4 and a molecular weight of 759.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl (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
PubChem CID11686397
Molecular FormulaC39H82O6Si4
Molecular Weight759.42 g/mol
Exact Mass758.52
IUPAC Namemethyl (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
SMILESCC[Si](CC)(CC)OCC[C@H]1[C@@H](/C=C/[C@H](CCCC(=O)OC)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C39H82O6Si4/c1-18-48(19-2,20-3)42-30-29-34-33(28-27-32(25-24-26-37(40)41-13)43-46(14,15)38(7,8)9)35(44-47(16,17)39(10,11)12)31-36(34)45-49(21-4,22-5)23-6/h27-28,32-36H,18-26,29-31H2,1-17H3/b28-27+/t32-,33+,34-,35-,36+/m0/s1
InChIKeyUMOOSOTYPYYJMI-RUOOXPHJSA-N
XLogP12.11
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.42
LogP ≤ 512.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

methyl (Z)-7-[(1R,2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate
CID 140538305
methyl 7-[3,5-bis(trimethylsilyloxy)-2-(3-trimethylsilyloxyoct-1-enyl)cyclopentyl]heptanoate
CID 634633
(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
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,5R)-7-bromo-5-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate
CID 89058029
(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
(E,3S)-1-[(1R,2S,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(2-hydroxyethyl)cyclopentyl]oct-1-en-3-ol
CID 101200510
methyl 5-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-2-yl]pentanoate
CID 102506064
methyl 7-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-1-enyl]-5-oxocyclopentyl]-6-oxoheptanoate
CID 10770403
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
methyl 7-[(1R,2R,3R)-5-oxo-3-triethylsilyloxy-2-[(E,3S)-3-triethylsilyloxyoct-1-enyl]cyclopentyl]heptanoate
CID 142487381
methyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-7-tributylstannylhept-6-enoate
CID 57407910

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC[Si](CC)(CC)OCC[C@H]1[C@@H](/C=C/[C@H](CCCC(=O)OC)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](CC)(CC)CC.
What is the InChIKey of 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?
The InChIKey is UMOOSOTYPYYJMI-RUOOXPHJSA-N. The full InChI is InChI=1S/C39H82O6Si4/c1-18-48(19-2,20-3)42-30-29-34-33(28-27-32(25-24-26-37(40)41-13)43-46(14,15)38(7,8)9)35(44-47(16,17)39(10,11)12)31-36(34)45-49(21-4,22-5)23-6/h27-28,32-36H,18-26,29-31H2,1-17H3/b28-27+/t32-,33+,34-,35-,36+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 759.42 g/mol, XLogP of 12.11, 22 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 11686397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).