2-[(3aS,4S,6S,6aR)-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-hydroxy-4-(methoxymethoxy)-3-oxo-1,2,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-6-yl]acetaldehyde

C28H37NO6Si — CID 24767240

IUPAC2-[(3aS,4S,6S,6aR)-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-hydroxy-4-(methoxymethoxy)-3-oxo-1,2,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-6-yl]acetaldehyde
SMILESCOCO[C@H]1C[C@@H](CC=O)[C@H]2C(O)NC(=O)[C@@]12CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H37NO6Si/c1-27(2,3)36(21-11-7-5-8-12-21,22-13-9-6-10-14-22)35-18-28-23(34-19-33-4)17-20(15-16-30)24(28)25(31)29-26(28)32/h5-14,16,20,23-25,31H,15,17-19H2,1-4H3,(H,29,32)/t20-,23+,24+,25?,28+/m1/s1
InChIKeyZADJZBHFDNHLEE-WLDZUGNLSA-N
MW511.69 g/mol
LogP2.21
Rot. Bonds10

About 2-[(3aS,4S,6S,6aR)-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-hydroxy-4-(methoxymethoxy)-3-oxo-1,2,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-6-yl]acetaldehyde

2-[(3aS,4S,6S,6aR)-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-hydroxy-4-(methoxymethoxy)-3-oxo-1,2,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-6-yl]acetaldehyde (PubChem CID 24767240) has the molecular formula C28H37NO6Si and a molecular weight of 511.69 g/mol. Its IUPAC name is 2-[(3aS,4S,6S,6aR)-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-hydroxy-4-(methoxymethoxy)-3-oxo-1,2,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-6-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(3aS,4S,6S,6aR)-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-hydroxy-4-(methoxymethoxy)-3-oxo-1,2,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-6-yl]acetaldehyde
PubChem CID24767240
Molecular FormulaC28H37NO6Si
Molecular Weight511.69 g/mol
Exact Mass511.24
IUPAC Name2-[(3aS,4S,6S,6aR)-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-hydroxy-4-(methoxymethoxy)-3-oxo-1,2,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-6-yl]acetaldehyde
SMILESCOCO[C@H]1C[C@@H](CC=O)[C@H]2C(O)NC(=O)[C@@]12CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H37NO6Si/c1-27(2,3)36(21-11-7-5-8-12-21,22-13-9-6-10-14-22)35-18-28-23(34-19-33-4)17-20(15-16-30)24(28)25(31)29-26(28)32/h5-14,16,20,23-25,31H,15,17-19H2,1-4H3,(H,29,32)/t20-,23+,24+,25?,28+/m1/s1
InChIKeyZADJZBHFDNHLEE-WLDZUGNLSA-N
XLogP2.21
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.69
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[(3aS,4S,6S,6aR)-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-hydroxy-4-(methoxymethoxy)-3-oxo-1,2,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-6-yl]acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

prop-2-enyl (1S,2S,3aR,6aS)-1-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(methoxymethoxy)-3,3a,4,6a-tetrahydro-2H-pentalene-1-carboxylate
CID 101460434
1-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(methoxymethoxy)-7-(phenylmethoxymethoxy)-2-oxabicyclo[2.2.1]heptan-3-ol
CID 59483090
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
(1R,4S,6R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(methoxymethoxy)cyclohex-2-en-1-ol
CID 15981598
(3S,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxypyrrolidin-2-one
CID 10667817
(6S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5,6-tris(methoxymethoxy)cyclohex-2-en-1-one
CID 134831815
methyl (1S,5S,6S)-1-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-bis(methoxymethoxy)cyclohex-2-ene-1-carboxylate
CID 102039676
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylcyclohexan-1-ol
CID 66761813
2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid
CID 146157316
cis-(1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde
CID 162119958
2-[(2R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-4-yl]acetaldehyde
CID 134945356

Frequently Asked Questions

What is the IUPAC name of 2-[(3aS,4S,6S,6aR)-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-hydroxy-4-(methoxymethoxy)-3-oxo-1,2,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-6-yl]acetaldehyde?
The IUPAC name of 2-[(3aS,4S,6S,6aR)-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-hydroxy-4-(methoxymethoxy)-3-oxo-1,2,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-6-yl]acetaldehyde (CID 24767240) is 2-[(3aS,4S,6S,6aR)-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-hydroxy-4-(methoxymethoxy)-3-oxo-1,2,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-6-yl]acetaldehyde.
What is the SMILES notation for 2-[(3aS,4S,6S,6aR)-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-hydroxy-4-(methoxymethoxy)-3-oxo-1,2,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-6-yl]acetaldehyde?
The canonical SMILES for 2-[(3aS,4S,6S,6aR)-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-hydroxy-4-(methoxymethoxy)-3-oxo-1,2,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-6-yl]acetaldehyde is COCO[C@H]1C[C@@H](CC=O)[C@H]2C(O)NC(=O)[C@@]12CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 2-[(3aS,4S,6S,6aR)-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-hydroxy-4-(methoxymethoxy)-3-oxo-1,2,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-6-yl]acetaldehyde?
The InChIKey is ZADJZBHFDNHLEE-WLDZUGNLSA-N. The full InChI is InChI=1S/C28H37NO6Si/c1-27(2,3)36(21-11-7-5-8-12-21,22-13-9-6-10-14-22)35-18-28-23(34-19-33-4)17-20(15-16-30)24(28)25(31)29-26(28)32/h5-14,16,20,23-25,31H,15,17-19H2,1-4H3,(H,29,32)/t20-,23+,24+,25?,28+/m1/s1.
What are the key properties of 2-[(3aS,4S,6S,6aR)-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-hydroxy-4-(methoxymethoxy)-3-oxo-1,2,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-6-yl]acetaldehyde?
2-[(3aS,4S,6S,6aR)-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-hydroxy-4-(methoxymethoxy)-3-oxo-1,2,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-6-yl]acetaldehyde has a molecular weight of 511.69 g/mol, XLogP of 2.21, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aS,4S,6S,6aR)-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-hydroxy-4-(methoxymethoxy)-3-oxo-1,2,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-6-yl]acetaldehyde is sourced from PubChem (CID 24767240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).