(3R)-3-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine

C17H26BNO3 — CID 150195108

IUPAC(3R)-3-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine
SMILESCC1(C)OB(c2cccc(C[C@@H]3COCCN3)c2)OC1(C)C
InChIInChI=1S/C17H26BNO3/c1-16(2)17(3,4)22-18(21-16)14-7-5-6-13(10-14)11-15-12-20-9-8-19-15/h5-7,10,15,19H,8-9,11-12H2,1-4H3/t15-/m1/s1
InChIKeyFOGZHIUFZFOFPU-OAHLLOKOSA-N
MW303.21 g/mol
LogP1.52
Rot. Bonds3

About (3R)-3-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine

(3R)-3-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine (PubChem CID 150195108) has the molecular formula C17H26BNO3 and a molecular weight of 303.21 g/mol. Its IUPAC name is (3R)-3-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name(3R)-3-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine
PubChem CID150195108
Molecular FormulaC17H26BNO3
Molecular Weight303.21 g/mol
Exact Mass303.20
IUPAC Name(3R)-3-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine
SMILESCC1(C)OB(c2cccc(C[C@@H]3COCCN3)c2)OC1(C)C
InChIInChI=1S/C17H26BNO3/c1-16(2)17(3,4)22-18(21-16)14-7-5-6-13(10-14)11-15-12-20-9-8-19-15/h5-7,10,15,19H,8-9,11-12H2,1-4H3/t15-/m1/s1
InChIKeyFOGZHIUFZFOFPU-OAHLLOKOSA-N
XLogP1.52
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine?
The IUPAC name of (3R)-3-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine (CID 150195108) is (3R)-3-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine.
What is the SMILES notation for (3R)-3-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine?
The canonical SMILES for (3R)-3-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine is CC1(C)OB(c2cccc(C[C@@H]3COCCN3)c2)OC1(C)C.
What is the InChIKey of (3R)-3-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine?
The InChIKey is FOGZHIUFZFOFPU-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26BNO3/c1-16(2)17(3,4)22-18(21-16)14-7-5-6-13(10-14)11-15-12-20-9-8-19-15/h5-7,10,15,19H,8-9,11-12H2,1-4H3/t15-/m1/s1.
What are the key properties of (3R)-3-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine?
(3R)-3-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine has a molecular weight of 303.21 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine is sourced from PubChem (CID 150195108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).