2-diethoxyphosphorylbutane

C8H19O3P — CID 2733649

IUPAC2-diethoxyphosphorylbutane
SMILESCCOP(=O)(OCC)C(C)CC
InChIInChI=1S/C8H19O3P/c1-5-8(4)12(9,10-6-2)11-7-3/h8H,5-7H2,1-4H3
InChIKeyTZMPEZLXOGOPPQ-UHFFFAOYSA-N
MW194.21 g/mol
LogP3.05
Rot. Bonds6

About 2-diethoxyphosphorylbutane

2-diethoxyphosphorylbutane (PubChem CID 2733649) has the molecular formula C8H19O3P and a molecular weight of 194.21 g/mol. Its IUPAC name is 2-diethoxyphosphorylbutane.

Molecular Properties

Compound Name2-diethoxyphosphorylbutane
PubChem CID2733649
Molecular FormulaC8H19O3P
Molecular Weight194.21 g/mol
Exact Mass194.11
IUPAC Name2-diethoxyphosphorylbutane
SMILESCCOP(=O)(OCC)C(C)CC
InChIInChI=1S/C8H19O3P/c1-5-8(4)12(9,10-6-2)11-7-3/h8H,5-7H2,1-4H3
InChIKeyTZMPEZLXOGOPPQ-UHFFFAOYSA-N
XLogP3.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
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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Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphorylbutane?
The IUPAC name of 2-diethoxyphosphorylbutane (CID 2733649) is 2-diethoxyphosphorylbutane.
What is the SMILES notation for 2-diethoxyphosphorylbutane?
The canonical SMILES for 2-diethoxyphosphorylbutane is CCOP(=O)(OCC)C(C)CC.
What is the InChIKey of 2-diethoxyphosphorylbutane?
The InChIKey is TZMPEZLXOGOPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O3P/c1-5-8(4)12(9,10-6-2)11-7-3/h8H,5-7H2,1-4H3.
What are the key properties of 2-diethoxyphosphorylbutane?
2-diethoxyphosphorylbutane has a molecular weight of 194.21 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphorylbutane is sourced from PubChem (CID 2733649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).