(4S,5S)-2-chloro-3,4-dimethyl-5-phenyl-2-prop-2-enyl-1,3,2-oxazasilolidine

C13H18ClNOSi — CID 10333223

IUPAC(4S,5S)-2-chloro-3,4-dimethyl-5-phenyl-2-prop-2-enyl-1,3,2-oxazasilolidine
SMILESC=CC[Si]1(Cl)O[C@@H](c2ccccc2)[C@H](C)N1C
InChIInChI=1S/C13H18ClNOSi/c1-4-10-17(14)15(3)11(2)13(16-17)12-8-6-5-7-9-12/h4-9,11,13H,1,10H2,2-3H3/t11-,13+,17?/m0/s1
InChIKeyXHCRAANIMMYPDV-APBZJUGRSA-N
MW267.83 g/mol
LogP3.44
Rot. Bonds3

About (4S,5S)-2-chloro-3,4-dimethyl-5-phenyl-2-prop-2-enyl-1,3,2-oxazasilolidine

(4S,5S)-2-chloro-3,4-dimethyl-5-phenyl-2-prop-2-enyl-1,3,2-oxazasilolidine (PubChem CID 10333223) has the molecular formula C13H18ClNOSi and a molecular weight of 267.83 g/mol. Its IUPAC name is (4S,5S)-2-chloro-3,4-dimethyl-5-phenyl-2-prop-2-enyl-1,3,2-oxazasilolidine.

Molecular Properties

Compound Name(4S,5S)-2-chloro-3,4-dimethyl-5-phenyl-2-prop-2-enyl-1,3,2-oxazasilolidine
PubChem CID10333223
Molecular FormulaC13H18ClNOSi
Molecular Weight267.83 g/mol
Exact Mass267.08
IUPAC Name(4S,5S)-2-chloro-3,4-dimethyl-5-phenyl-2-prop-2-enyl-1,3,2-oxazasilolidine
SMILESC=CC[Si]1(Cl)O[C@@H](c2ccccc2)[C@H](C)N1C
InChIInChI=1S/C13H18ClNOSi/c1-4-10-17(14)15(3)11(2)13(16-17)12-8-6-5-7-9-12/h4-9,11,13H,1,10H2,2-3H3/t11-,13+,17?/m0/s1
InChIKeyXHCRAANIMMYPDV-APBZJUGRSA-N
XLogP3.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.83
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2-chloro-3,4-dimethyl-5-phenyl-2-prop-2-enyl-1,3,2-oxazasilolidine?
The IUPAC name of (4S,5S)-2-chloro-3,4-dimethyl-5-phenyl-2-prop-2-enyl-1,3,2-oxazasilolidine (CID 10333223) is (4S,5S)-2-chloro-3,4-dimethyl-5-phenyl-2-prop-2-enyl-1,3,2-oxazasilolidine.
What is the SMILES notation for (4S,5S)-2-chloro-3,4-dimethyl-5-phenyl-2-prop-2-enyl-1,3,2-oxazasilolidine?
The canonical SMILES for (4S,5S)-2-chloro-3,4-dimethyl-5-phenyl-2-prop-2-enyl-1,3,2-oxazasilolidine is C=CC[Si]1(Cl)O[C@@H](c2ccccc2)[C@H](C)N1C.
What is the InChIKey of (4S,5S)-2-chloro-3,4-dimethyl-5-phenyl-2-prop-2-enyl-1,3,2-oxazasilolidine?
The InChIKey is XHCRAANIMMYPDV-APBZJUGRSA-N. The full InChI is InChI=1S/C13H18ClNOSi/c1-4-10-17(14)15(3)11(2)13(16-17)12-8-6-5-7-9-12/h4-9,11,13H,1,10H2,2-3H3/t11-,13+,17?/m0/s1.
What are the key properties of (4S,5S)-2-chloro-3,4-dimethyl-5-phenyl-2-prop-2-enyl-1,3,2-oxazasilolidine?
(4S,5S)-2-chloro-3,4-dimethyl-5-phenyl-2-prop-2-enyl-1,3,2-oxazasilolidine has a molecular weight of 267.83 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2-chloro-3,4-dimethyl-5-phenyl-2-prop-2-enyl-1,3,2-oxazasilolidine is sourced from PubChem (CID 10333223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).