1-diethoxyphosphoryl-2-methylpropane

C8H19O3P — CID 638729

IUPAC1-diethoxyphosphoryl-2-methylpropane
SMILESCCOP(=O)(CC(C)C)OCC
InChIInChI=1S/C8H19O3P/c1-5-10-12(9,11-6-2)7-8(3)4/h8H,5-7H2,1-4H3
InChIKeyKWVBQQBRIUYFSW-UHFFFAOYSA-N
MW194.21 g/mol
LogP2.91
Rot. Bonds6

About 1-diethoxyphosphoryl-2-methylpropane

1-diethoxyphosphoryl-2-methylpropane (PubChem CID 638729) has the molecular formula C8H19O3P and a molecular weight of 194.21 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-2-methylpropane.

Molecular Properties

Compound Name1-diethoxyphosphoryl-2-methylpropane
PubChem CID638729
Molecular FormulaC8H19O3P
Molecular Weight194.21 g/mol
Exact Mass194.11
IUPAC Name1-diethoxyphosphoryl-2-methylpropane
SMILESCCOP(=O)(CC(C)C)OCC
InChIInChI=1S/C8H19O3P/c1-5-10-12(9,11-6-2)7-8(3)4/h8H,5-7H2,1-4H3
InChIKeyKWVBQQBRIUYFSW-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
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

Triisobutyl phosphate
CID 31355
Dibutyl butylphosphonate
CID 6539
Diethyl P-hexylphosphonate
CID 85311
Dibutyl propylphosphonate
CID 99440
2-Methylpropyl Hydrogen (R)-Methylphosphonate
CID 15764431
Dibutyl methylphosphonate
CID 16994
Diisobutyl hydrogen phosphate
CID 80550
Diethyl propylphosphonate
CID 140428
Diisobutyl methylphosphonate
CID 566101
Diethyl (propan-2-yl)phosphonate
CID 586633
Diisopropyl isopropylphosphonate
CID 15592904
Phosphonic acid, methyl-, bis(3-methylbutyl) ester
CID 520135

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-2-methylpropane?
The IUPAC name of 1-diethoxyphosphoryl-2-methylpropane (CID 638729) is 1-diethoxyphosphoryl-2-methylpropane.
What is the SMILES notation for 1-diethoxyphosphoryl-2-methylpropane?
The canonical SMILES for 1-diethoxyphosphoryl-2-methylpropane is CCOP(=O)(CC(C)C)OCC.
What is the InChIKey of 1-diethoxyphosphoryl-2-methylpropane?
The InChIKey is KWVBQQBRIUYFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O3P/c1-5-10-12(9,11-6-2)7-8(3)4/h8H,5-7H2,1-4H3.
What are the key properties of 1-diethoxyphosphoryl-2-methylpropane?
1-diethoxyphosphoryl-2-methylpropane has a molecular weight of 194.21 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-2-methylpropane is sourced from PubChem (CID 638729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).