bis(2,6-dimethylphenyl) [(2R)-2-pyrrolidin-1-ylbutyl] phosphite

C24H34NO3P — CID 101145756

IUPACbis(2,6-dimethylphenyl) [(2R)-2-pyrrolidin-1-ylbutyl] phosphite
SMILESCC[C@H](COP(Oc1c(C)cccc1C)Oc1c(C)cccc1C)N1CCCC1
InChIInChI=1S/C24H34NO3P/c1-6-22(25-15-7-8-16-25)17-26-29(27-23-18(2)11-9-12-19(23)3)28-24-20(4)13-10-14-21(24)5/h9-14,22H,6-8,15-17H2,1-5H3/t22-/m1/s1
InChIKeySMTNDNQMAYYBSW-JOCHJYFZSA-N
MW415.51 g/mol
LogP6.50
Rot. Bonds9

About bis(2,6-dimethylphenyl) [(2R)-2-pyrrolidin-1-ylbutyl] phosphite

bis(2,6-dimethylphenyl) [(2R)-2-pyrrolidin-1-ylbutyl] phosphite (PubChem CID 101145756) has the molecular formula C24H34NO3P and a molecular weight of 415.51 g/mol. Its IUPAC name is bis(2,6-dimethylphenyl) [(2R)-2-pyrrolidin-1-ylbutyl] phosphite.

Molecular Properties

Compound Namebis(2,6-dimethylphenyl) [(2R)-2-pyrrolidin-1-ylbutyl] phosphite
PubChem CID101145756
Molecular FormulaC24H34NO3P
Molecular Weight415.51 g/mol
Exact Mass415.23
IUPAC Namebis(2,6-dimethylphenyl) [(2R)-2-pyrrolidin-1-ylbutyl] phosphite
SMILESCC[C@H](COP(Oc1c(C)cccc1C)Oc1c(C)cccc1C)N1CCCC1
InChIInChI=1S/C24H34NO3P/c1-6-22(25-15-7-8-16-25)17-26-29(27-23-18(2)11-9-12-19(23)3)28-24-20(4)13-10-14-21(24)5/h9-14,22H,6-8,15-17H2,1-5H3/t22-/m1/s1
InChIKeySMTNDNQMAYYBSW-JOCHJYFZSA-N
XLogP6.50
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.51
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(2,6-dimethylphenyl) [(2R)-2-pyrrolidin-1-ylbutyl] phosphite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2,6-dimethylphenyl) [(2R)-2-pyrrolidin-1-ylbutyl] phosphite?
The IUPAC name of bis(2,6-dimethylphenyl) [(2R)-2-pyrrolidin-1-ylbutyl] phosphite (CID 101145756) is bis(2,6-dimethylphenyl) [(2R)-2-pyrrolidin-1-ylbutyl] phosphite.
What is the SMILES notation for bis(2,6-dimethylphenyl) [(2R)-2-pyrrolidin-1-ylbutyl] phosphite?
The canonical SMILES for bis(2,6-dimethylphenyl) [(2R)-2-pyrrolidin-1-ylbutyl] phosphite is CC[C@H](COP(Oc1c(C)cccc1C)Oc1c(C)cccc1C)N1CCCC1.
What is the InChIKey of bis(2,6-dimethylphenyl) [(2R)-2-pyrrolidin-1-ylbutyl] phosphite?
The InChIKey is SMTNDNQMAYYBSW-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H34NO3P/c1-6-22(25-15-7-8-16-25)17-26-29(27-23-18(2)11-9-12-19(23)3)28-24-20(4)13-10-14-21(24)5/h9-14,22H,6-8,15-17H2,1-5H3/t22-/m1/s1.
What are the key properties of bis(2,6-dimethylphenyl) [(2R)-2-pyrrolidin-1-ylbutyl] phosphite?
bis(2,6-dimethylphenyl) [(2R)-2-pyrrolidin-1-ylbutyl] phosphite has a molecular weight of 415.51 g/mol, XLogP of 6.50, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-dimethylphenyl) [(2R)-2-pyrrolidin-1-ylbutyl] phosphite is sourced from PubChem (CID 101145756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).