carbon monoxide;chromium;(3S,5R)-5-ethoxy-2-methyl-3-phenyl-1,2-oxazolidine

C15H17CrNO5 — CID 134899175

IUPACcarbon monoxide;chromium;(3S,5R)-5-ethoxy-2-methyl-3-phenyl-1,2-oxazolidine
SMILESCCO[C@H]1C[C@@H](c2ccccc2)N(C)O1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C12H17NO2.3CO.Cr/c1-3-14-12-9-11(13(2)15-12)10-7-5-4-6-8-10;3*1-2;/h4-8,11-12H,3,9H2,1-2H3;;;;/t11-,12+;;;;/m0..../s1
InChIKeyALMLOVDALLSXJH-QHSFPFIWSA-N
MW343.30 g/mol
LogP2.24
Rot. Bonds3

About carbon monoxide;chromium;(3S,5R)-5-ethoxy-2-methyl-3-phenyl-1,2-oxazolidine

carbon monoxide;chromium;(3S,5R)-5-ethoxy-2-methyl-3-phenyl-1,2-oxazolidine (PubChem CID 134899175) has the molecular formula C15H17CrNO5 and a molecular weight of 343.30 g/mol. Its IUPAC name is carbon monoxide;chromium;(3S,5R)-5-ethoxy-2-methyl-3-phenyl-1,2-oxazolidine.

Molecular Properties

Compound Namecarbon monoxide;chromium;(3S,5R)-5-ethoxy-2-methyl-3-phenyl-1,2-oxazolidine
PubChem CID134899175
Molecular FormulaC15H17CrNO5
Molecular Weight343.30 g/mol
Exact Mass343.05
IUPAC Namecarbon monoxide;chromium;(3S,5R)-5-ethoxy-2-methyl-3-phenyl-1,2-oxazolidine
SMILESCCO[C@H]1C[C@@H](c2ccccc2)N(C)O1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C12H17NO2.3CO.Cr/c1-3-14-12-9-11(13(2)15-12)10-7-5-4-6-8-10;3*1-2;/h4-8,11-12H,3,9H2,1-2H3;;;;/t11-,12+;;;;/m0..../s1
InChIKeyALMLOVDALLSXJH-QHSFPFIWSA-N
XLogP2.24
TPSA81.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N,2-Trimethyl-alpha-phenyl-m-dioxane-5-methylamine
CID 12370021
1-(2-ethyl-1,3-dioxan-5-yl)-N,N-dimethyl-1-phenylmethanamine
CID 12370022
1-(2-cyclopentyl-1,3-dioxan-5-yl)-N,N-dimethyl-1-phenylmethanamine
CID 90672815
(3R,5R)-2-methyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine
CID 10420426
tert-butyl-dimethyl-[[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]oxy]silane
CID 15685054
(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
(3S,5S)-2-benzyl-5-ethoxy-3-phenyl-1,2-oxazolidine
CID 100914315
(3S,5R)-2-benzyl-5-ethoxy-3-phenyl-1,2-oxazolidine
CID 100914316
carbon monoxide;chromium;[(3S,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate
CID 134899183
carbon monoxide;chromium;[2-[(3S,5R)-5-ethoxy-2-methyl-1,2-oxazolidin-3-yl]phenyl]-trimethylsilane
CID 134899199
tert-butyl-dimethyl-[[(3S,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]oxy]silane
CID 134925486

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;chromium;(3S,5R)-5-ethoxy-2-methyl-3-phenyl-1,2-oxazolidine?
The IUPAC name of carbon monoxide;chromium;(3S,5R)-5-ethoxy-2-methyl-3-phenyl-1,2-oxazolidine (CID 134899175) is carbon monoxide;chromium;(3S,5R)-5-ethoxy-2-methyl-3-phenyl-1,2-oxazolidine.
What is the SMILES notation for carbon monoxide;chromium;(3S,5R)-5-ethoxy-2-methyl-3-phenyl-1,2-oxazolidine?
The canonical SMILES for carbon monoxide;chromium;(3S,5R)-5-ethoxy-2-methyl-3-phenyl-1,2-oxazolidine is CCO[C@H]1C[C@@H](c2ccccc2)N(C)O1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;chromium;(3S,5R)-5-ethoxy-2-methyl-3-phenyl-1,2-oxazolidine?
The InChIKey is ALMLOVDALLSXJH-QHSFPFIWSA-N. The full InChI is InChI=1S/C12H17NO2.3CO.Cr/c1-3-14-12-9-11(13(2)15-12)10-7-5-4-6-8-10;3*1-2;/h4-8,11-12H,3,9H2,1-2H3;;;;/t11-,12+;;;;/m0..../s1.
What are the key properties of carbon monoxide;chromium;(3S,5R)-5-ethoxy-2-methyl-3-phenyl-1,2-oxazolidine?
carbon monoxide;chromium;(3S,5R)-5-ethoxy-2-methyl-3-phenyl-1,2-oxazolidine has a molecular weight of 343.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium;(3S,5R)-5-ethoxy-2-methyl-3-phenyl-1,2-oxazolidine is sourced from PubChem (CID 134899175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).