[5-[(4S,5R)-3,4-dimethyl-2-oxido-5-phenyl-1,3,2-oxazaphospholidin-2-ium-2-yl]cyclopenta-1,3-dien-1-yl]-trimethylsilane

C18H26NO2PSi — CID 101390305

IUPAC[5-[(4S,5R)-3,4-dimethyl-2-oxido-5-phenyl-1,3,2-oxazaphospholidin-2-ium-2-yl]cyclopenta-1,3-dien-1-yl]-trimethylsilane
SMILESC[C@H]1[C@@H](c2ccccc2)O[P+]([O-])(C2C=CC=C2[Si](C)(C)C)N1C
InChIInChI=1S/C18H26NO2PSi/c1-14-18(15-10-7-6-8-11-15)21-22(20,19(14)2)16-12-9-13-17(16)23(3,4)5/h6-14,16,18H,1-5H3/t14-,16?,18-,22?/m0/s1
InChIKeyKJXDUBRNQURMMK-TWGDKQRHSA-N
MW347.47 g/mol
LogP3.94
Rot. Bonds3

About [5-[(4S,5R)-3,4-dimethyl-2-oxido-5-phenyl-1,3,2-oxazaphospholidin-2-ium-2-yl]cyclopenta-1,3-dien-1-yl]-trimethylsilane

[5-[(4S,5R)-3,4-dimethyl-2-oxido-5-phenyl-1,3,2-oxazaphospholidin-2-ium-2-yl]cyclopenta-1,3-dien-1-yl]-trimethylsilane (PubChem CID 101390305) has the molecular formula C18H26NO2PSi and a molecular weight of 347.47 g/mol. Its IUPAC name is [5-[(4S,5R)-3,4-dimethyl-2-oxido-5-phenyl-1,3,2-oxazaphospholidin-2-ium-2-yl]cyclopenta-1,3-dien-1-yl]-trimethylsilane.

Molecular Properties

Compound Name[5-[(4S,5R)-3,4-dimethyl-2-oxido-5-phenyl-1,3,2-oxazaphospholidin-2-ium-2-yl]cyclopenta-1,3-dien-1-yl]-trimethylsilane
PubChem CID101390305
Molecular FormulaC18H26NO2PSi
Molecular Weight347.47 g/mol
Exact Mass347.15
IUPAC Name[5-[(4S,5R)-3,4-dimethyl-2-oxido-5-phenyl-1,3,2-oxazaphospholidin-2-ium-2-yl]cyclopenta-1,3-dien-1-yl]-trimethylsilane
SMILESC[C@H]1[C@@H](c2ccccc2)O[P+]([O-])(C2C=CC=C2[Si](C)(C)C)N1C
InChIInChI=1S/C18H26NO2PSi/c1-14-18(15-10-7-6-8-11-15)21-22(20,19(14)2)16-12-9-13-17(16)23(3,4)5/h6-14,16,18H,1-5H3/t14-,16?,18-,22?/m0/s1
InChIKeyKJXDUBRNQURMMK-TWGDKQRHSA-N
XLogP3.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [5-[(4S,5R)-3,4-dimethyl-2-oxido-5-phenyl-1,3,2-oxazaphospholidin-2-ium-2-yl]cyclopenta-1,3-dien-1-yl]-trimethylsilane 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

(4S,5R)-2-chloro-3,4-dimethyl-5-phenyl-2-sulfanyl-1,3,2-oxazaphospholidin-2-ium
CID 59024918
(5-tert-butylcyclopenta-1,3-dien-1-yl)-trimethylsilane
CID 134888747
trimethyl-(2-trimethylsilylcyclopenta-2,4-dien-1-yl)silane
CID 11987086
(2R,3S)-2-methyl-3-phenyloxirane
CID 6452030
(2R)-2-methyl-3-phenyloxirane
CID 12040001
2,3,4-trimethyl-5-phenyl-1,3,2-oxazaborolidine
CID 599876
(4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one
CID 58484806
2,2,3,4-tetramethyl-5-phenyl-1,3-oxazolidine
CID 68632441
(2R,4S,5R)-3,4-dimethyl-N,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine
CID 23416278
(2S,4S,5R)-3,4-dimethyl-N,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine
CID 23416279
(2S,3R)-2-methyl-3-phenylthiirane
CID 134929070
(4R,5S)-N,N,3,4-tetramethyl-5-phenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine
CID 58445883

Frequently Asked Questions

What is the IUPAC name of [5-[(4S,5R)-3,4-dimethyl-2-oxido-5-phenyl-1,3,2-oxazaphospholidin-2-ium-2-yl]cyclopenta-1,3-dien-1-yl]-trimethylsilane?
The IUPAC name of [5-[(4S,5R)-3,4-dimethyl-2-oxido-5-phenyl-1,3,2-oxazaphospholidin-2-ium-2-yl]cyclopenta-1,3-dien-1-yl]-trimethylsilane (CID 101390305) is [5-[(4S,5R)-3,4-dimethyl-2-oxido-5-phenyl-1,3,2-oxazaphospholidin-2-ium-2-yl]cyclopenta-1,3-dien-1-yl]-trimethylsilane.
What is the SMILES notation for [5-[(4S,5R)-3,4-dimethyl-2-oxido-5-phenyl-1,3,2-oxazaphospholidin-2-ium-2-yl]cyclopenta-1,3-dien-1-yl]-trimethylsilane?
The canonical SMILES for [5-[(4S,5R)-3,4-dimethyl-2-oxido-5-phenyl-1,3,2-oxazaphospholidin-2-ium-2-yl]cyclopenta-1,3-dien-1-yl]-trimethylsilane is C[C@H]1[C@@H](c2ccccc2)O[P+]([O-])(C2C=CC=C2[Si](C)(C)C)N1C.
What is the InChIKey of [5-[(4S,5R)-3,4-dimethyl-2-oxido-5-phenyl-1,3,2-oxazaphospholidin-2-ium-2-yl]cyclopenta-1,3-dien-1-yl]-trimethylsilane?
The InChIKey is KJXDUBRNQURMMK-TWGDKQRHSA-N. The full InChI is InChI=1S/C18H26NO2PSi/c1-14-18(15-10-7-6-8-11-15)21-22(20,19(14)2)16-12-9-13-17(16)23(3,4)5/h6-14,16,18H,1-5H3/t14-,16?,18-,22?/m0/s1.
What are the key properties of [5-[(4S,5R)-3,4-dimethyl-2-oxido-5-phenyl-1,3,2-oxazaphospholidin-2-ium-2-yl]cyclopenta-1,3-dien-1-yl]-trimethylsilane?
[5-[(4S,5R)-3,4-dimethyl-2-oxido-5-phenyl-1,3,2-oxazaphospholidin-2-ium-2-yl]cyclopenta-1,3-dien-1-yl]-trimethylsilane has a molecular weight of 347.47 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4S,5R)-3,4-dimethyl-2-oxido-5-phenyl-1,3,2-oxazaphospholidin-2-ium-2-yl]cyclopenta-1,3-dien-1-yl]-trimethylsilane is sourced from PubChem (CID 101390305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).