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

C33H61NO4Si2 — CID 102506064

IUPACmethyl 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
SMILESCCCCC[C@H](/C=C/[C@@H]1c2cc(CCCCC(=O)OC)[nH]c2C[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C33H61NO4Si2/c1-13-14-15-19-26(37-39(9,10)32(2,3)4)21-22-27-28-23-25(18-16-17-20-31(35)36-8)34-29(28)24-30(27)38-40(11,12)33(5,6)7/h21-23,26-27,30,34H,13-20,24H2,1-12H3/b22-21+/t26-,27-,30-/m1/s1
InChIKeyCJGRZWSFKVGNQG-RWQFLHMPSA-N
MW592.03 g/mol
LogP9.46
Rot. Bonds15

About 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

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 (PubChem CID 102506064) has the molecular formula C33H61NO4Si2 and a molecular weight of 592.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl 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
PubChem CID102506064
Molecular FormulaC33H61NO4Si2
Molecular Weight592.03 g/mol
Exact Mass591.41
IUPAC Namemethyl 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
SMILESCCCCC[C@H](/C=C/[C@@H]1c2cc(CCCCC(=O)OC)[nH]c2C[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C33H61NO4Si2/c1-13-14-15-19-26(37-39(9,10)32(2,3)4)21-22-27-28-23-25(18-16-17-20-31(35)36-8)34-29(28)24-30(27)38-40(11,12)33(5,6)7/h21-23,26-27,30,34H,13-20,24H2,1-12H3/b22-21+/t26-,27-,30-/m1/s1
InChIKeyCJGRZWSFKVGNQG-RWQFLHMPSA-N
XLogP9.46
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.03
LogP ≤ 59.46
H-Bond Donors ≤ 51
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 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 with MolForge

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Related Compounds

methyl 7-[4-[3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-3-oxo-6-oxabicyclo[3.1.0]hexan-2-yl]-7-hydroxyheptanoate
CID 57164428
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 (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 12-[tert-butyl(dimethyl)silyl]oxynonadecanoate
CID 526837
methyl 10-[tert-butyl(dimethyl)silyl]oxyheptadecanoate
CID 526836
methyl 7-[3,5-bis(trimethylsilyloxy)-2-(3-trimethylsilyloxyoct-1-enyl)cyclopentyl]heptanoate
CID 634633
(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
[(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-1-enyl]-2-[3-(2-methoxy-2-oxoethoxy)propylsulfanyl]cyclopenten-1-yl] butanoate
CID 22883793
methyl (E,10S,13S)-10,13-bis(trimethylsilyloxy)icos-11-enoate
CID 10006194
methyl 6-[(4R,5S)-2-butanoyloxy-4-[tert-butyl(dimethyl)silyl]oxy-5-[(E)-3-hydroxy-7-phenylhept-1-enyl]cyclopenten-1-yl]sulfanylhexanoate
CID 67643909
methyl 7-[5-[3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-3-ethylsulfanyl-2-oxocyclopent-3-en-1-ylidene]heptanoate
CID 57183753
methyl (E,9S)-9-[tert-butyl(dimethyl)silyl]oxy-11-(2-ethyl-3-oxocyclopenten-1-yl)undec-10-enoate
CID 56958097

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCC[C@H](/C=C/[C@@H]1c2cc(CCCCC(=O)OC)[nH]c2C[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 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?
The InChIKey is CJGRZWSFKVGNQG-RWQFLHMPSA-N. The full InChI is InChI=1S/C33H61NO4Si2/c1-13-14-15-19-26(37-39(9,10)32(2,3)4)21-22-27-28-23-25(18-16-17-20-31(35)36-8)34-29(28)24-30(27)38-40(11,12)33(5,6)7/h21-23,26-27,30,34H,13-20,24H2,1-12H3/b22-21+/t26-,27-,30-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 592.03 g/mol, XLogP of 9.46, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 102506064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).