[(1S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methoxycarbonylcyclopent-2-en-1-yl]-dimethylsulfanium

C25H33O3SSi+ — CID 23256427

IUPAC[(1S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methoxycarbonylcyclopent-2-en-1-yl]-dimethylsulfanium
SMILESCOC(=O)C1=CC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1[S+](C)C
InChIInChI=1S/C25H33O3SSi/c1-25(2,3)30(19-13-9-7-10-14-19,20-15-11-8-12-16-20)28-22-18-17-21(24(26)27-4)23(22)29(5)6/h7-17,22-23H,18H2,1-6H3/q+1/t22-,23-/m0/s1
InChIKeyBVYXTZOLHCJQNB-GOTSBHOMSA-N
MW441.69 g/mol
LogP3.68
Rot. Bonds6

About [(1S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methoxycarbonylcyclopent-2-en-1-yl]-dimethylsulfanium

[(1S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methoxycarbonylcyclopent-2-en-1-yl]-dimethylsulfanium (PubChem CID 23256427) has the molecular formula C25H33O3SSi+ and a molecular weight of 441.69 g/mol. Its IUPAC name is [(1S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methoxycarbonylcyclopent-2-en-1-yl]-dimethylsulfanium.

Molecular Properties

Compound Name[(1S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methoxycarbonylcyclopent-2-en-1-yl]-dimethylsulfanium
PubChem CID23256427
Molecular FormulaC25H33O3SSi+
Molecular Weight441.69 g/mol
Exact Mass441.19
IUPAC Name[(1S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methoxycarbonylcyclopent-2-en-1-yl]-dimethylsulfanium
SMILESCOC(=O)C1=CC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1[S+](C)C
InChIInChI=1S/C25H33O3SSi/c1-25(2,3)30(19-13-9-7-10-14-19,20-15-11-8-12-16-20)28-22-18-17-21(24(26)27-4)23(22)29(5)6/h7-17,22-23H,18H2,1-6H3/q+1/t22-,23-/m0/s1
InChIKeyBVYXTZOLHCJQNB-GOTSBHOMSA-N
XLogP3.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.69
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-(dimethylamino)cyclopentene-1-carboxylate
CID 23256423
methyl 5-[tert-butyl(diphenyl)silyl]oxy-3,3a,4,5,6,6a-hexahydropentalene-1-carboxylate
CID 171612451
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
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
methyl (5S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxycyclohexene-1-carboxylate
CID 54720201
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]oxypyrrolidine-2-carboxylic acid
CID 71317354
1-O-tert-butyl 5-O-methyl (3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2,3-dihydropyrrole-1,5-dicarboxylate
CID 68640757
methyl (1S,3R,4R,5S)-3-[tert-butyl(diphenyl)silyl]oxy-4-methylbicyclo[3.1.0]hexane-1-carboxylate
CID 11625671

Frequently Asked Questions

What is the IUPAC name of [(1S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methoxycarbonylcyclopent-2-en-1-yl]-dimethylsulfanium?
The IUPAC name of [(1S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methoxycarbonylcyclopent-2-en-1-yl]-dimethylsulfanium (CID 23256427) is [(1S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methoxycarbonylcyclopent-2-en-1-yl]-dimethylsulfanium.
What is the SMILES notation for [(1S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methoxycarbonylcyclopent-2-en-1-yl]-dimethylsulfanium?
The canonical SMILES for [(1S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methoxycarbonylcyclopent-2-en-1-yl]-dimethylsulfanium is COC(=O)C1=CC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1[S+](C)C.
What is the InChIKey of [(1S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methoxycarbonylcyclopent-2-en-1-yl]-dimethylsulfanium?
The InChIKey is BVYXTZOLHCJQNB-GOTSBHOMSA-N. The full InChI is InChI=1S/C25H33O3SSi/c1-25(2,3)30(19-13-9-7-10-14-19,20-15-11-8-12-16-20)28-22-18-17-21(24(26)27-4)23(22)29(5)6/h7-17,22-23H,18H2,1-6H3/q+1/t22-,23-/m0/s1.
What are the key properties of [(1S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methoxycarbonylcyclopent-2-en-1-yl]-dimethylsulfanium?
[(1S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methoxycarbonylcyclopent-2-en-1-yl]-dimethylsulfanium has a molecular weight of 441.69 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methoxycarbonylcyclopent-2-en-1-yl]-dimethylsulfanium is sourced from PubChem (CID 23256427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).