2-(1-diethoxyphosphoryl-2,2-dimethylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H32BO5P — CID 100963635

IUPAC2-(1-diethoxyphosphoryl-2,2-dimethylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCOP(=O)(OCC)C(B1OC(C)(C)C(C)(C)O1)C(C)(C)C
InChIInChI=1S/C15H32BO5P/c1-10-18-22(17,19-11-2)12(13(3,4)5)16-20-14(6,7)15(8,9)21-16/h12H,10-11H2,1-9H3
InChIKeyAICYBAZEWCGVAY-UHFFFAOYSA-N
MW334.20 g/mol
LogP4.30
Rot. Bonds6

About 2-(1-diethoxyphosphoryl-2,2-dimethylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(1-diethoxyphosphoryl-2,2-dimethylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 100963635) has the molecular formula C15H32BO5P and a molecular weight of 334.20 g/mol. Its IUPAC name is 2-(1-diethoxyphosphoryl-2,2-dimethylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(1-diethoxyphosphoryl-2,2-dimethylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID100963635
Molecular FormulaC15H32BO5P
Molecular Weight334.20 g/mol
Exact Mass334.21
IUPAC Name2-(1-diethoxyphosphoryl-2,2-dimethylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCOP(=O)(OCC)C(B1OC(C)(C)C(C)(C)O1)C(C)(C)C
InChIInChI=1S/C15H32BO5P/c1-10-18-22(17,19-11-2)12(13(3,4)5)16-20-14(6,7)15(8,9)21-16/h12H,10-11H2,1-9H3
InChIKeyAICYBAZEWCGVAY-UHFFFAOYSA-N
XLogP4.30
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-4-diethoxyphosphorylbutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11439650
ethyl 3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanoate
CID 75487151
2-(2-diethoxyphosphoryl-2,2-difluoroethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102527295
(1-diethoxyphosphoryl-2,2-dimethylpropyl) nitrate
CID 141164553
1-diethoxyphosphorylethanamine
CID 5149858
3-diethoxyphosphoryl-2,2,5-trimethylhexane
CID 87328302
CID 10935280
CID 10935280
tert-butyl 2-amino-2-diethoxyphosphorylacetate
CID 10945397
N-tert-butyl-N-[1-[ethoxy(methyliodanuidyloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine
CID 163552966
[diethoxyphosphoryl(trimethylsilyl)methyl]-trimethylsilane
CID 13199614
N-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine
CID 23143931
4,4,5,5-tetramethyl-2-pentan-3-yl-1,3,2-dioxaborolane
CID 56926967

Frequently Asked Questions

What is the IUPAC name of 2-(1-diethoxyphosphoryl-2,2-dimethylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(1-diethoxyphosphoryl-2,2-dimethylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 100963635) is 2-(1-diethoxyphosphoryl-2,2-dimethylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(1-diethoxyphosphoryl-2,2-dimethylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(1-diethoxyphosphoryl-2,2-dimethylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCOP(=O)(OCC)C(B1OC(C)(C)C(C)(C)O1)C(C)(C)C.
What is the InChIKey of 2-(1-diethoxyphosphoryl-2,2-dimethylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is AICYBAZEWCGVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32BO5P/c1-10-18-22(17,19-11-2)12(13(3,4)5)16-20-14(6,7)15(8,9)21-16/h12H,10-11H2,1-9H3.
What are the key properties of 2-(1-diethoxyphosphoryl-2,2-dimethylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(1-diethoxyphosphoryl-2,2-dimethylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 334.20 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-diethoxyphosphoryl-2,2-dimethylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 100963635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).