carbon monoxide;chromium;trimethyl-[(3S,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]silane

C16H21CrNO4Si — CID 134899193

IUPACcarbon monoxide;chromium;trimethyl-[(3S,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]silane
SMILESCN1O[C@@H]([Si](C)(C)C)C[C@H]1c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C13H21NOSi.3CO.Cr/c1-14-12(11-8-6-5-7-9-11)10-13(15-14)16(2,3)4;3*1-2;/h5-9,12-13H,10H2,1-4H3;;;;/t12-,13-;;;;/m0..../s1
InChIKeyFUNIBTPFNRIOFH-FDUIRRPTSA-N
MW371.43 g/mol
LogP3.13
Rot. Bonds2

About carbon monoxide;chromium;trimethyl-[(3S,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]silane

carbon monoxide;chromium;trimethyl-[(3S,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]silane (PubChem CID 134899193) has the molecular formula C16H21CrNO4Si and a molecular weight of 371.43 g/mol. Its IUPAC name is carbon monoxide;chromium;trimethyl-[(3S,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]silane.

Molecular Properties

Compound Namecarbon monoxide;chromium;trimethyl-[(3S,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]silane
PubChem CID134899193
Molecular FormulaC16H21CrNO4Si
Molecular Weight371.43 g/mol
Exact Mass371.06
IUPAC Namecarbon monoxide;chromium;trimethyl-[(3S,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]silane
SMILESCN1O[C@@H]([Si](C)(C)C)C[C@H]1c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C13H21NOSi.3CO.Cr/c1-14-12(11-8-6-5-7-9-11)10-13(15-14)16(2,3)4;3*1-2;/h5-9,12-13H,10H2,1-4H3;;;;/t12-,13-;;;;/m0..../s1
InChIKeyFUNIBTPFNRIOFH-FDUIRRPTSA-N
XLogP3.13
TPSA72.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(Difluoromethylidene)-2-methyl-3-phenyl-1,2-oxazolidine
CID 13582988
(3r,5s)-5-Iodomethyl-2-methyl-3-phenyl-isoxazolidine
CID 11141200
(3R,5R)-5-(iodomethyl)-2-methyl-3-phenyl-1,2-oxazolidine
CID 5323941
(3R,5R)-2-methyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine
CID 10420426
(3S,4S)-2-ethyl-3-phenyl-4-phenylselanyl-1,2-oxazolidine
CID 10903692
(3S)-2-benzyl-3-phenyl-1,2-oxazolidine
CID 11413758
[(3R,5R)-2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
CID 15685050
tert-butyl-dimethyl-[[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]oxy]silane
CID 15685054
(3S,4S)-3-phenyl-4-phenylselanyl-2-propan-2-yl-1,2-oxazolidine
CID 15758443
(3S,4S)-2-heptan-4-yl-3-phenyl-4-phenylselanyl-1,2-oxazolidine
CID 15758445
(3S,5S)-5-ethoxy-2-methyl-3-phenyl-1,2-oxazolidine
CID 93504493
(3S,5R)-5-ethoxy-2-methyl-3-phenyl-1,2-oxazolidine
CID 93504494

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;chromium;trimethyl-[(3S,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]silane?
The IUPAC name of carbon monoxide;chromium;trimethyl-[(3S,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]silane (CID 134899193) is carbon monoxide;chromium;trimethyl-[(3S,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]silane.
What is the SMILES notation for carbon monoxide;chromium;trimethyl-[(3S,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]silane?
The canonical SMILES for carbon monoxide;chromium;trimethyl-[(3S,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]silane is CN1O[C@@H]([Si](C)(C)C)C[C@H]1c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;chromium;trimethyl-[(3S,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]silane?
The InChIKey is FUNIBTPFNRIOFH-FDUIRRPTSA-N. The full InChI is InChI=1S/C13H21NOSi.3CO.Cr/c1-14-12(11-8-6-5-7-9-11)10-13(15-14)16(2,3)4;3*1-2;/h5-9,12-13H,10H2,1-4H3;;;;/t12-,13-;;;;/m0..../s1.
What are the key properties of carbon monoxide;chromium;trimethyl-[(3S,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]silane?
carbon monoxide;chromium;trimethyl-[(3S,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]silane has a molecular weight of 371.43 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium;trimethyl-[(3S,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]silane is sourced from PubChem (CID 134899193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).