[di(propan-2-yl)amino] diethoxy phosphate

C10H24NO6P — CID 141077385

IUPAC[di(propan-2-yl)amino] diethoxy phosphate
SMILESCCOOP(=O)(OOCC)ON(C(C)C)C(C)C
InChIInChI=1S/C10H24NO6P/c1-7-13-16-18(12,17-14-8-2)15-11(9(3)4)10(5)6/h9-10H,7-8H2,1-6H3
InChIKeyBWRMJYXKASTHKI-UHFFFAOYSA-N
MW285.28 g/mol
LogP3.08
Rot. Bonds10

About [di(propan-2-yl)amino] diethoxy phosphate

[di(propan-2-yl)amino] diethoxy phosphate (PubChem CID 141077385) has the molecular formula C10H24NO6P and a molecular weight of 285.28 g/mol. Its IUPAC name is [di(propan-2-yl)amino] diethoxy phosphate.

Molecular Properties

Compound Name[di(propan-2-yl)amino] diethoxy phosphate
PubChem CID141077385
Molecular FormulaC10H24NO6P
Molecular Weight285.28 g/mol
Exact Mass285.13
IUPAC Name[di(propan-2-yl)amino] diethoxy phosphate
SMILESCCOOP(=O)(OOCC)ON(C(C)C)C(C)C
InChIInChI=1S/C10H24NO6P/c1-7-13-16-18(12,17-14-8-2)15-11(9(3)4)10(5)6/h9-10H,7-8H2,1-6H3
InChIKeyBWRMJYXKASTHKI-UHFFFAOYSA-N
XLogP3.08
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

diethoxy ethyl phosphate
CID 22136775
diethoxy methyl phosphate
CID 154199840
bis(ethylperoxy)phosphoryl cyanate
CID 172555592
ethoxy ethyl hexan-3-yloxy phosphate
CID 155756142
ethanol;ethoxy dihydrogen phosphate
CID 87186202
N-[ethoxy(propoxy)phosphoryl]-N-methylpropan-2-amine
CID 170850998
ethyl N-ethyl-N-propan-2-ylcarbamate
CID 61216466
2-methylpropanamide;triethyl phosphate
CID 155316510
ethyl 3-bis(ethylperoxy)phosphorylpropanoate
CID 114986799
azane;ethoxyethane;phosphoric acid;propan-2-ol
CID 174578801
N-ethoxy-3-methyl-N-propan-2-ylbutan-2-amine
CID 174368808
1-diethoxyphosphoryl-1-methylhydrazine
CID 10773763

Frequently Asked Questions

What is the IUPAC name of [di(propan-2-yl)amino] diethoxy phosphate?
The IUPAC name of [di(propan-2-yl)amino] diethoxy phosphate (CID 141077385) is [di(propan-2-yl)amino] diethoxy phosphate.
What is the SMILES notation for [di(propan-2-yl)amino] diethoxy phosphate?
The canonical SMILES for [di(propan-2-yl)amino] diethoxy phosphate is CCOOP(=O)(OOCC)ON(C(C)C)C(C)C.
What is the InChIKey of [di(propan-2-yl)amino] diethoxy phosphate?
The InChIKey is BWRMJYXKASTHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24NO6P/c1-7-13-16-18(12,17-14-8-2)15-11(9(3)4)10(5)6/h9-10H,7-8H2,1-6H3.
What are the key properties of [di(propan-2-yl)amino] diethoxy phosphate?
[di(propan-2-yl)amino] diethoxy phosphate has a molecular weight of 285.28 g/mol, XLogP of 3.08, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [di(propan-2-yl)amino] diethoxy phosphate is sourced from PubChem (CID 141077385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).