2-[(2R)-1-diphenylphosphoryldodecan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C30H46BO3P — CID 122375570

IUPAC2-[(2R)-1-diphenylphosphoryldodecan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCCCCCCCC[C@H](CP(=O)(c1ccccc1)c1ccccc1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C30H46BO3P/c1-6-7-8-9-10-11-12-15-20-26(31-33-29(2,3)30(4,5)34-31)25-35(32,27-21-16-13-17-22-27)28-23-18-14-19-24-28/h13-14,16-19,21-24,26H,6-12,15,20,25H2,1-5H3/t26-/m1/s1
InChIKeyFVMMNDMPWTXSGT-AREMUKBSSA-N
MW496.48 g/mol
LogP7.99
Rot. Bonds14

About 2-[(2R)-1-diphenylphosphoryldodecan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(2R)-1-diphenylphosphoryldodecan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 122375570) has the molecular formula C30H46BO3P and a molecular weight of 496.48 g/mol. Its IUPAC name is 2-[(2R)-1-diphenylphosphoryldodecan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(2R)-1-diphenylphosphoryldodecan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID122375570
Molecular FormulaC30H46BO3P
Molecular Weight496.48 g/mol
Exact Mass496.33
IUPAC Name2-[(2R)-1-diphenylphosphoryldodecan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCCCCCCCC[C@H](CP(=O)(c1ccccc1)c1ccccc1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C30H46BO3P/c1-6-7-8-9-10-11-12-15-20-26(31-33-29(2,3)30(4,5)34-31)25-35(32,27-21-16-13-17-22-27)28-23-18-14-19-24-28/h13-14,16-19,21-24,26H,6-12,15,20,25H2,1-5H3/t26-/m1/s1
InChIKeyFVMMNDMPWTXSGT-AREMUKBSSA-N
XLogP7.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.48
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2R)-1-diphenylphosphoryldodecan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

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Related Compounds

2-[(3R)-2-diphenylphosphorylnonan-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 134952964
[(3R)-4-diphenylphosphoryl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl] propanoate
CID 122375576
2-[(2R)-1-diphenylphosphoryloctan-2-yl]furan
CID 122375580
benzyl (3R)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octanoate
CID 164681739
2-decylhexadecyl(phenyl)phosphinic acid
CID 143870973
[(2S,3R)-1-diphenylphosphoryl-2-trimethylsilyloxyheptan-3-yl]oxy-trimethylsilane
CID 10695952
4,4,5,5-tetramethyl-2-[(2R)-octan-2-yl]-1,3,2-dioxaborolane
CID 102188713
N-[butylamino(phenyl)phosphoryl]butan-1-amine
CID 12884898
[butyl(decan-2-yl)phosphoryl]benzene
CID 3575781
4,4,5,5-tetramethyl-2-[(Z)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-1-en-2-yl]-1,3,2-dioxaborolane
CID 134904589
[2-chlorooctyl(ethoxy)phosphoryl]benzene
CID 135065727
N-benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-amine
CID 25149879

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-diphenylphosphoryldodecan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(2R)-1-diphenylphosphoryldodecan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 122375570) is 2-[(2R)-1-diphenylphosphoryldodecan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(2R)-1-diphenylphosphoryldodecan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(2R)-1-diphenylphosphoryldodecan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCCCCCCCCC[C@H](CP(=O)(c1ccccc1)c1ccccc1)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[(2R)-1-diphenylphosphoryldodecan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is FVMMNDMPWTXSGT-AREMUKBSSA-N. The full InChI is InChI=1S/C30H46BO3P/c1-6-7-8-9-10-11-12-15-20-26(31-33-29(2,3)30(4,5)34-31)25-35(32,27-21-16-13-17-22-27)28-23-18-14-19-24-28/h13-14,16-19,21-24,26H,6-12,15,20,25H2,1-5H3/t26-/m1/s1.
What are the key properties of 2-[(2R)-1-diphenylphosphoryldodecan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(2R)-1-diphenylphosphoryldodecan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 496.48 g/mol, XLogP of 7.99, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-diphenylphosphoryldodecan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 122375570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).