carbon monoxide;[(4S)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl]methylidenechromium

C12H17CrNO4 — CID 134893380

IUPACcarbon monoxide;[(4S)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl]methylidenechromium
SMILESCC(C)[C@H]1COC(C)(C)N1C=[Cr].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C9H17NO.3CO.Cr/c1-7(2)8-6-11-9(3,4)10(8)5;3*1-2;/h5,7-8H,6H2,1-4H3;;;;/t8-;;;;/m1..../s1
InChIKeyHVYWSBVBPZLQDY-XWCOYVICSA-N
MW291.27 g/mol
LogP1.27
Rot. Bonds2

About carbon monoxide;[(4S)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl]methylidenechromium

carbon monoxide;[(4S)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl]methylidenechromium (PubChem CID 134893380) has the molecular formula C12H17CrNO4 and a molecular weight of 291.27 g/mol. Its IUPAC name is carbon monoxide;[(4S)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl]methylidenechromium.

Molecular Properties

Compound Namecarbon monoxide;[(4S)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl]methylidenechromium
PubChem CID134893380
Molecular FormulaC12H17CrNO4
Molecular Weight291.27 g/mol
Exact Mass291.06
IUPAC Namecarbon monoxide;[(4S)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl]methylidenechromium
SMILESCC(C)[C@H]1COC(C)(C)N1C=[Cr].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C9H17NO.3CO.Cr/c1-7(2)8-6-11-9(3,4)10(8)5;3*1-2;/h5,7-8H,6H2,1-4H3;;;;/t8-;;;;/m1..../s1
InChIKeyHVYWSBVBPZLQDY-XWCOYVICSA-N
XLogP1.27
TPSA72.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.27
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'}

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Related Compounds

Oxazolidine, 2-isopropyl-2,3-dimethyl-
CID 567740
2-Ethyl-3-methyl-4-propan-2-yl-1,3-oxazolidine
CID 13086258
3-Ethyl-2-methyl-2-(2-methylpropyl)-1,3-oxazolidine
CID 22996832
2,3-Di(propan-2-yl)-1,3-oxazolidine
CID 22996833
(2S,4S)-3-ethyl-2,4,5,5-tetramethyl-1,3-oxazolidine
CID 58307513
3-Tert-butyl-4-propan-2-yl-1,3-oxazolidine
CID 58403887
3,4-Di(propan-2-yl)-1,3-oxazolidine
CID 58916313
(2S)-2,3-di(propan-2-yl)-1,3-oxazolidine
CID 59611256
(4R)-3,4-di(propan-2-yl)-1,3-oxazolidine
CID 59611413
(6R)-6,7-di(propan-2-yl)-4-oxa-7-azaspiro[2.4]heptane
CID 59611506
(4S)-4-tert-butyl-2,2,3-trimethyl-1,3-oxazolidine
CID 59911446
2,3-Dimethyl-2-(2-methylpropyl)-1,3-oxazolidine
CID 60110758

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[(4S)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl]methylidenechromium?
The IUPAC name of carbon monoxide;[(4S)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl]methylidenechromium (CID 134893380) is carbon monoxide;[(4S)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl]methylidenechromium.
What is the SMILES notation for carbon monoxide;[(4S)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl]methylidenechromium?
The canonical SMILES for carbon monoxide;[(4S)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl]methylidenechromium is CC(C)[C@H]1COC(C)(C)N1C=[Cr].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[(4S)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl]methylidenechromium?
The InChIKey is HVYWSBVBPZLQDY-XWCOYVICSA-N. The full InChI is InChI=1S/C9H17NO.3CO.Cr/c1-7(2)8-6-11-9(3,4)10(8)5;3*1-2;/h5,7-8H,6H2,1-4H3;;;;/t8-;;;;/m1..../s1.
What are the key properties of carbon monoxide;[(4S)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl]methylidenechromium?
carbon monoxide;[(4S)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl]methylidenechromium has a molecular weight of 291.27 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[(4S)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl]methylidenechromium is sourced from PubChem (CID 134893380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).