1-dimethoxyphosphoryl-1-methoxybutane

C7H17O4P — CID 152537717

IUPAC1-dimethoxyphosphoryl-1-methoxybutane
SMILESCCCC(OC)P(=O)(OC)OC
InChIInChI=1S/C7H17O4P/c1-5-6-7(9-2)12(8,10-3)11-4/h7H,5-6H2,1-4H3
InChIKeyYKWPKCGAYIYEHB-UHFFFAOYSA-N
MW196.18 g/mol
LogP2.24
Rot. Bonds6

About 1-dimethoxyphosphoryl-1-methoxybutane

1-dimethoxyphosphoryl-1-methoxybutane (PubChem CID 152537717) has the molecular formula C7H17O4P and a molecular weight of 196.18 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-1-methoxybutane.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-1-methoxybutane
PubChem CID152537717
Molecular FormulaC7H17O4P
Molecular Weight196.18 g/mol
Exact Mass196.09
IUPAC Name1-dimethoxyphosphoryl-1-methoxybutane
SMILESCCCC(OC)P(=O)(OC)OC
InChIInChI=1S/C7H17O4P/c1-5-6-7(9-2)12(8,10-3)11-4/h7H,5-6H2,1-4H3
InChIKeyYKWPKCGAYIYEHB-UHFFFAOYSA-N
XLogP2.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-1-dimethoxyphosphorylhexan-2-ol
CID 22399764
1-[[methoxy(propan-2-yl)phosphoryl]oxy-propan-2-ylphosphoryl]oxypropane
CID 586976
methyl pentan-2-yl hydrogen phosphate
CID 138486874
tris(3-methoxyheptan-4-yl) phosphate
CID 154210175
1-diethoxyphosphorylbutyl propanoate
CID 71393420
1-dimethoxyphosphoryl-3-methoxypropan-1-ol
CID 13339452
dimethyl phosphate;tetrapropylphosphanium
CID 87475978
methyl (2R)-2-dimethoxyphosphoryldodecanoate
CID 98566008
[(1R)-1-dimethoxyphosphoryldodecyl] benzoate
CID 102395340
(1S,2S)-1-dimethoxyphosphorylpropane-1,2-diol
CID 42612314
1-dimethoxyphosphorylpropane-1,2-diol
CID 74820780
N-[(3R)-3-dimethoxyphosphorylhexyl]aniline
CID 23660291

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphoryl-1-methoxybutane?
The IUPAC name of 1-dimethoxyphosphoryl-1-methoxybutane (CID 152537717) is 1-dimethoxyphosphoryl-1-methoxybutane.
What is the SMILES notation for 1-dimethoxyphosphoryl-1-methoxybutane?
The canonical SMILES for 1-dimethoxyphosphoryl-1-methoxybutane is CCCC(OC)P(=O)(OC)OC.
What is the InChIKey of 1-dimethoxyphosphoryl-1-methoxybutane?
The InChIKey is YKWPKCGAYIYEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O4P/c1-5-6-7(9-2)12(8,10-3)11-4/h7H,5-6H2,1-4H3.
What are the key properties of 1-dimethoxyphosphoryl-1-methoxybutane?
1-dimethoxyphosphoryl-1-methoxybutane has a molecular weight of 196.18 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-1-methoxybutane is sourced from PubChem (CID 152537717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).