methyl (4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-(dimethylamino)cyclopentene-1-carboxylate

C25H33NO3Si — CID 23256423

IUPACmethyl (4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-(dimethylamino)cyclopentene-1-carboxylate
SMILESCOC(=O)C1=CC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1N(C)C
InChIInChI=1S/C25H33NO3Si/c1-25(2,3)30(19-13-9-7-10-14-19,20-15-11-8-12-16-20)29-22-18-17-21(24(27)28-6)23(22)26(4)5/h7-17,22-23H,18H2,1-6H3/t22-,23-/m0/s1
InChIKeyBCTDPTDIXVLJOL-GOTSBHOMSA-N
MW423.63 g/mol
LogP3.36
Rot. Bonds6

About methyl (4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-(dimethylamino)cyclopentene-1-carboxylate

methyl (4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-(dimethylamino)cyclopentene-1-carboxylate (PubChem CID 23256423) has the molecular formula C25H33NO3Si and a molecular weight of 423.63 g/mol. Its IUPAC name is methyl (4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-(dimethylamino)cyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl (4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-(dimethylamino)cyclopentene-1-carboxylate
PubChem CID23256423
Molecular FormulaC25H33NO3Si
Molecular Weight423.63 g/mol
Exact Mass423.22
IUPAC Namemethyl (4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-(dimethylamino)cyclopentene-1-carboxylate
SMILESCOC(=O)C1=CC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1N(C)C
InChIInChI=1S/C25H33NO3Si/c1-25(2,3)30(19-13-9-7-10-14-19,20-15-11-8-12-16-20)29-22-18-17-21(24(27)28-6)23(22)26(4)5/h7-17,22-23H,18H2,1-6H3/t22-,23-/m0/s1
InChIKeyBCTDPTDIXVLJOL-GOTSBHOMSA-N
XLogP3.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.63
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-(dimethylamino)cyclopentene-1-carboxylate 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

[(1S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methoxycarbonylcyclopent-2-en-1-yl]-dimethylsulfanium
CID 23256427
methyl 5-[tert-butyl(diphenyl)silyl]oxy-3,3a,4,5,6,6a-hexahydropentalene-1-carboxylate
CID 171612451
methyl (5S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxycyclohexene-1-carboxylate
CID 54720201
methyl (1R,4aS,6S,7R,7aS)-6-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
CID 171783207
methyl 6-[tert-butyl(diphenyl)silyl]oxynaphthalene-2-carboxylate
CID 14645565
cis-methyl (3S,5R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]cyclohexane-1-carboxylate
CID 58715061
methyl 3,5-bis[[tert-butyl(diphenyl)silyl]oxy]cyclohexane-1-carboxylate
CID 21062599
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 170904665
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 153312960
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid
CID 177365841
4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclohexane-1-carboxamide
CID 89407420
(3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-3-fluoropiperidine-1-carboxylic acid
CID 175815286

Frequently Asked Questions

What is the IUPAC name of methyl (4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-(dimethylamino)cyclopentene-1-carboxylate?
The IUPAC name of methyl (4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-(dimethylamino)cyclopentene-1-carboxylate (CID 23256423) is methyl (4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-(dimethylamino)cyclopentene-1-carboxylate.
What is the SMILES notation for methyl (4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-(dimethylamino)cyclopentene-1-carboxylate?
The canonical SMILES for methyl (4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-(dimethylamino)cyclopentene-1-carboxylate is COC(=O)C1=CC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1N(C)C.
What is the InChIKey of methyl (4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-(dimethylamino)cyclopentene-1-carboxylate?
The InChIKey is BCTDPTDIXVLJOL-GOTSBHOMSA-N. The full InChI is InChI=1S/C25H33NO3Si/c1-25(2,3)30(19-13-9-7-10-14-19,20-15-11-8-12-16-20)29-22-18-17-21(24(27)28-6)23(22)26(4)5/h7-17,22-23H,18H2,1-6H3/t22-,23-/m0/s1.
What are the key properties of methyl (4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-(dimethylamino)cyclopentene-1-carboxylate?
methyl (4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-(dimethylamino)cyclopentene-1-carboxylate has a molecular weight of 423.63 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-(dimethylamino)cyclopentene-1-carboxylate is sourced from PubChem (CID 23256423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).