1-dimethoxyphosphoryl-3-methoxypropan-1-ol

C6H15O5P — CID 13339452

IUPAC1-dimethoxyphosphoryl-3-methoxypropan-1-ol
SMILESCOCCC(O)P(=O)(OC)OC
InChIInChI=1S/C6H15O5P/c1-9-5-4-6(7)12(8,10-2)11-3/h6-7H,4-5H2,1-3H3
InChIKeyDLYJMTSRERKEIL-UHFFFAOYSA-N
MW198.15 g/mol
LogP0.83
Rot. Bonds6

About 1-dimethoxyphosphoryl-3-methoxypropan-1-ol

1-dimethoxyphosphoryl-3-methoxypropan-1-ol (PubChem CID 13339452) has the molecular formula C6H15O5P and a molecular weight of 198.15 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-3-methoxypropan-1-ol.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-3-methoxypropan-1-ol
PubChem CID13339452
Molecular FormulaC6H15O5P
Molecular Weight198.15 g/mol
Exact Mass198.07
IUPAC Name1-dimethoxyphosphoryl-3-methoxypropan-1-ol
SMILESCOCCC(O)P(=O)(OC)OC
InChIInChI=1S/C6H15O5P/c1-9-5-4-6(7)12(8,10-2)11-3/h6-7H,4-5H2,1-3H3
InChIKeyDLYJMTSRERKEIL-UHFFFAOYSA-N
XLogP0.83
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.15
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-diethoxyphosphoryl-3-methoxypropan-1-ol
CID 125471550
(1S)-1-dimethoxyphosphoryl-3-phenylpropan-1-ol
CID 102595949
(1S)-1-di(propan-2-yloxy)phosphoryl-2-methoxyethanol
CID 125471706
(2R)-1-amino-1-dimethoxyphosphorylpropan-2-ol
CID 167170160
1-dimethoxyphosphorylpropane-1,2-diol
CID 74820780
(1S,2S)-1-dimethoxyphosphorylpropane-1,2-diol
CID 42612314
2-hydroxy-6-methoxy-4-methylhexan-3-one
CID 103451528
1-[ethoxy(methoxy)phosphoryl]prop-2-en-1-ol
CID 71365075
(3R)-1-dimethoxyphosphoryl-3-(4-methylphenyl)butan-1-ol
CID 11391621
6-methoxy-4-(2-methoxyethyl)-3-oxohexanoic acid
CID 174465837
1-bromo-1-dimethoxyphosphorylhexan-2-ol
CID 22399764
3-(2-methoxyethyl)-4-methylpentan-2-ol
CID 62915702

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphoryl-3-methoxypropan-1-ol?
The IUPAC name of 1-dimethoxyphosphoryl-3-methoxypropan-1-ol (CID 13339452) is 1-dimethoxyphosphoryl-3-methoxypropan-1-ol.
What is the SMILES notation for 1-dimethoxyphosphoryl-3-methoxypropan-1-ol?
The canonical SMILES for 1-dimethoxyphosphoryl-3-methoxypropan-1-ol is COCCC(O)P(=O)(OC)OC.
What is the InChIKey of 1-dimethoxyphosphoryl-3-methoxypropan-1-ol?
The InChIKey is DLYJMTSRERKEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O5P/c1-9-5-4-6(7)12(8,10-2)11-3/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-dimethoxyphosphoryl-3-methoxypropan-1-ol?
1-dimethoxyphosphoryl-3-methoxypropan-1-ol has a molecular weight of 198.15 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-3-methoxypropan-1-ol is sourced from PubChem (CID 13339452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).