2-deuterio-1-diethoxyphosphorylbutane

C8H19O3P — CID 102385353

IUPAC2-deuterio-1-diethoxyphosphorylbutane
SMILES[2H]C(CC)CP(=O)(OCC)OCC
InChIInChI=1S/C8H19O3P/c1-4-7-8-12(9,10-5-2)11-6-3/h4-8H2,1-3H3/i7D
InChIKeyKEOJOAVYGLGAIM-WHRKIXHSSA-N
MW195.22 g/mol
LogP3.05
Rot. Bonds7

About 2-deuterio-1-diethoxyphosphorylbutane

2-deuterio-1-diethoxyphosphorylbutane (PubChem CID 102385353) has the molecular formula C8H19O3P and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-deuterio-1-diethoxyphosphorylbutane.

Molecular Properties

Compound Name2-deuterio-1-diethoxyphosphorylbutane
PubChem CID102385353
Molecular FormulaC8H19O3P
Molecular Weight195.22 g/mol
Exact Mass195.11
IUPAC Name2-deuterio-1-diethoxyphosphorylbutane
SMILES[2H]C(CC)CP(=O)(OCC)OCC
InChIInChI=1S/C8H19O3P/c1-4-7-8-12(9,10-5-2)11-6-3/h4-8H2,1-3H3/i7D
InChIKeyKEOJOAVYGLGAIM-WHRKIXHSSA-N
XLogP3.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-diethoxyphosphoryldecane
CID 2773697
1-diethoxyphosphorylundecane
CID 57360026
2-diethoxyphosphorylethanamine;hydrochloride
CID 21435836
2-(2-diethoxyphosphorylethylsulfanyl)-2-methylpropane
CID 71385662
1,5-bis(diethoxyphosphoryl)pentan-3-one
CID 12030147
1-[ethoxy(methoxy)phosphoryl]butane
CID 86081258
diethyl 2-(2-diethoxyphosphorylethyl)propanedioate
CID 174999001
2-diethoxyphosphorylethanesulfonic acid
CID 14904485
8-diethoxyphosphoryloctan-1-ol
CID 10515886
1-[[chloro(dideuterio)methyl]-ethoxyphosphoryl]propane
CID 10330081
CID 23272700
CID 23272700
N,3-bis(diethoxyphosphoryl)propan-1-amine
CID 12557390

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-1-diethoxyphosphorylbutane?
The IUPAC name of 2-deuterio-1-diethoxyphosphorylbutane (CID 102385353) is 2-deuterio-1-diethoxyphosphorylbutane.
What is the SMILES notation for 2-deuterio-1-diethoxyphosphorylbutane?
The canonical SMILES for 2-deuterio-1-diethoxyphosphorylbutane is [2H]C(CC)CP(=O)(OCC)OCC.
What is the InChIKey of 2-deuterio-1-diethoxyphosphorylbutane?
The InChIKey is KEOJOAVYGLGAIM-WHRKIXHSSA-N. The full InChI is InChI=1S/C8H19O3P/c1-4-7-8-12(9,10-5-2)11-6-3/h4-8H2,1-3H3/i7D.
What are the key properties of 2-deuterio-1-diethoxyphosphorylbutane?
2-deuterio-1-diethoxyphosphorylbutane has a molecular weight of 195.22 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-1-diethoxyphosphorylbutane is sourced from PubChem (CID 102385353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).