(1R)-1-diethoxyphosphoryl-3-methoxypropan-1-ol

C8H19O5P — CID 125471550

IUPAC(1R)-1-diethoxyphosphoryl-3-methoxypropan-1-ol
SMILESCCOP(=O)(OCC)[C@@H](O)CCOC
InChIInChI=1S/C8H19O5P/c1-4-12-14(10,13-5-2)8(9)6-7-11-3/h8-9H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyXRUPFEFVGJYXDS-MRVPVSSYSA-N
MW226.21 g/mol
LogP1.61
Rot. Bonds8

About (1R)-1-diethoxyphosphoryl-3-methoxypropan-1-ol

(1R)-1-diethoxyphosphoryl-3-methoxypropan-1-ol (PubChem CID 125471550) has the molecular formula C8H19O5P and a molecular weight of 226.21 g/mol. Its IUPAC name is (1R)-1-diethoxyphosphoryl-3-methoxypropan-1-ol.

Molecular Properties

Compound Name(1R)-1-diethoxyphosphoryl-3-methoxypropan-1-ol
PubChem CID125471550
Molecular FormulaC8H19O5P
Molecular Weight226.21 g/mol
Exact Mass226.10
IUPAC Name(1R)-1-diethoxyphosphoryl-3-methoxypropan-1-ol
SMILESCCOP(=O)(OCC)[C@@H](O)CCOC
InChIInChI=1S/C8H19O5P/c1-4-12-14(10,13-5-2)8(9)6-7-11-3/h8-9H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyXRUPFEFVGJYXDS-MRVPVSSYSA-N
XLogP1.61
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 51.61
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

1-dimethoxyphosphoryl-3-methoxypropan-1-ol
CID 13339452
(1S)-1-diethoxyphosphoryl-3-methylbutan-1-ol
CID 10944092
(1S)-1-diethoxyphosphoryl-3-phenylmethoxypropan-1-ol
CID 134942131
1-diethoxyphosphoryl-3-phenylpropan-1-ol
CID 12930490
2,5-bis(diethoxyphosphoryl)hexanedioic acid
CID 54116909
1-[ethoxy(hexoxy)phosphoryl]hexane-1,6-diol
CID 174265460
(2R,3S)-3-diethoxyphosphorylbutan-2-ol
CID 11031085
diethyl 2-methoxyethyl phosphate
CID 547489
methyl (E)-4-diethoxyphosphorylpent-2-enoate
CID 24864443
1-[ethoxy(methoxy)phosphoryl]prop-2-en-1-ol
CID 71365075
(1S)-1-di(propan-2-yloxy)phosphoryl-2-methoxyethanol
CID 125471706
(2S,3R)-3-diethoxyphosphorylpentan-2-ol
CID 166436787

Frequently Asked Questions

What is the IUPAC name of (1R)-1-diethoxyphosphoryl-3-methoxypropan-1-ol?
The IUPAC name of (1R)-1-diethoxyphosphoryl-3-methoxypropan-1-ol (CID 125471550) is (1R)-1-diethoxyphosphoryl-3-methoxypropan-1-ol.
What is the SMILES notation for (1R)-1-diethoxyphosphoryl-3-methoxypropan-1-ol?
The canonical SMILES for (1R)-1-diethoxyphosphoryl-3-methoxypropan-1-ol is CCOP(=O)(OCC)[C@@H](O)CCOC.
What is the InChIKey of (1R)-1-diethoxyphosphoryl-3-methoxypropan-1-ol?
The InChIKey is XRUPFEFVGJYXDS-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H19O5P/c1-4-12-14(10,13-5-2)8(9)6-7-11-3/h8-9H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of (1R)-1-diethoxyphosphoryl-3-methoxypropan-1-ol?
(1R)-1-diethoxyphosphoryl-3-methoxypropan-1-ol has a molecular weight of 226.21 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-diethoxyphosphoryl-3-methoxypropan-1-ol is sourced from PubChem (CID 125471550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).