1-[dimethoxyphosphoryl(propoxy)phosphoryl]oxypropane

C8H20O6P2 — CID 18430553

IUPAC1-[dimethoxyphosphoryl(propoxy)phosphoryl]oxypropane
SMILESCCCOP(=O)(OCCC)P(=O)(OC)OC
InChIInChI=1S/C8H20O6P2/c1-5-7-13-16(10,14-8-6-2)15(9,11-3)12-4/h5-8H2,1-4H3
InChIKeyTZRPGFLLGZFXTN-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.43
Rot. Bonds9

About 1-[dimethoxyphosphoryl(propoxy)phosphoryl]oxypropane

1-[dimethoxyphosphoryl(propoxy)phosphoryl]oxypropane (PubChem CID 18430553) has the molecular formula C8H20O6P2 and a molecular weight of 274.19 g/mol. Its IUPAC name is 1-[dimethoxyphosphoryl(propoxy)phosphoryl]oxypropane.

Molecular Properties

Compound Name1-[dimethoxyphosphoryl(propoxy)phosphoryl]oxypropane
PubChem CID18430553
Molecular FormulaC8H20O6P2
Molecular Weight274.19 g/mol
Exact Mass274.07
IUPAC Name1-[dimethoxyphosphoryl(propoxy)phosphoryl]oxypropane
SMILESCCCOP(=O)(OCCC)P(=O)(OC)OC
InChIInChI=1S/C8H20O6P2/c1-5-7-13-16(10,14-8-6-2)15(9,11-3)12-4/h5-8H2,1-4H3
InChIKeyTZRPGFLLGZFXTN-UHFFFAOYSA-N
XLogP3.43
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[methoxy(propyl)phosphoryl]oxypropane
CID 587089
methyl 2-propoxyethyl hydrogen phosphate
CID 87066021
1-[methyl(propoxy)phosphoryl]oxypropane
CID 566276
N-[methoxy(propoxy)phosphoryl]-N-methylmethanamine
CID 541932
1,2-bis[[methoxy(methyl)phosphoryl]oxy]ethane
CID 18714474
2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium
CID 163641809
1-[[methoxy(propan-2-yl)phosphoryl]oxy-propan-2-ylphosphoryl]oxypropane
CID 586976
dipropoxyphosphoryl hydrogen carbonate
CID 175546987
trimethyl-[2-[[propoxy-[2-(trimethylazaniumyl)ethylamino]phosphoryl]amino]ethyl]azanium dibromide
CID 29468
ethane;2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium
CID 176693760
diiodo propyl phosphate
CID 175578929
1-[fluoro(iodo)phosphoryl]oxypropane
CID 175579008

Frequently Asked Questions

What is the IUPAC name of 1-[dimethoxyphosphoryl(propoxy)phosphoryl]oxypropane?
The IUPAC name of 1-[dimethoxyphosphoryl(propoxy)phosphoryl]oxypropane (CID 18430553) is 1-[dimethoxyphosphoryl(propoxy)phosphoryl]oxypropane.
What is the SMILES notation for 1-[dimethoxyphosphoryl(propoxy)phosphoryl]oxypropane?
The canonical SMILES for 1-[dimethoxyphosphoryl(propoxy)phosphoryl]oxypropane is CCCOP(=O)(OCCC)P(=O)(OC)OC.
What is the InChIKey of 1-[dimethoxyphosphoryl(propoxy)phosphoryl]oxypropane?
The InChIKey is TZRPGFLLGZFXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O6P2/c1-5-7-13-16(10,14-8-6-2)15(9,11-3)12-4/h5-8H2,1-4H3.
What are the key properties of 1-[dimethoxyphosphoryl(propoxy)phosphoryl]oxypropane?
1-[dimethoxyphosphoryl(propoxy)phosphoryl]oxypropane has a molecular weight of 274.19 g/mol, XLogP of 3.43, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethoxyphosphoryl(propoxy)phosphoryl]oxypropane is sourced from PubChem (CID 18430553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).