1-[methyl(propoxy)phosphoryl]oxypropane

C7H17O3P — CID 566276

IUPAC1-[methyl(propoxy)phosphoryl]oxypropane
SMILESCCCOP(C)(=O)OCCC
InChIInChI=1S/C7H17O3P/c1-4-6-9-11(3,8)10-7-5-2/h4-7H2,1-3H3
InChIKeyNRMHUSQXOMWJGD-UHFFFAOYSA-N
MW180.18 g/mol
LogP2.66
Rot. Bonds6

About 1-[methyl(propoxy)phosphoryl]oxypropane

1-[methyl(propoxy)phosphoryl]oxypropane (PubChem CID 566276) has the molecular formula C7H17O3P and a molecular weight of 180.18 g/mol. Its IUPAC name is 1-[methyl(propoxy)phosphoryl]oxypropane.

Molecular Properties

Compound Name1-[methyl(propoxy)phosphoryl]oxypropane
PubChem CID566276
Molecular FormulaC7H17O3P
Molecular Weight180.18 g/mol
Exact Mass180.09
IUPAC Name1-[methyl(propoxy)phosphoryl]oxypropane
SMILESCCCOP(C)(=O)OCCC
InChIInChI=1S/C7H17O3P/c1-4-6-9-11(3,8)10-7-5-2/h4-7H2,1-3H3
InChIKeyNRMHUSQXOMWJGD-UHFFFAOYSA-N
XLogP2.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 52.66
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

2-methyl-1-[methyl(propoxy)phosphoryl]oxypropane
CID 86168978
1-[methyl(octoxy)phosphoryl]oxyoctane
CID 15779
1-[butoxy(methyl)phosphoryl]oxydecane
CID 89088308
1,2-bis[[methoxy(methyl)phosphoryl]oxy]ethane
CID 18714474
2-[butoxy(methyl)phosphoryl]oxyacetonitrile
CID 71443697
[2-hydroxy-2-methyl-3-[methyl(propoxy)phosphoryl]oxypropyl] acetate
CID 58331147
O-[methyl(octoxy)phosphoryl]hydroxylamine
CID 87877912
1-[dimethoxyphosphoryl(propoxy)phosphoryl]oxypropane
CID 18430553
diiodo propyl phosphate
CID 175578929
2-dipropoxyphosphoryl-2-methylpropane
CID 58435824
1-[fluoro(iodo)phosphoryl]oxypropane
CID 175579008
2-cyanoethyl 2-[2-[ethoxy(methyl)phosphoryl]oxyethoxy]ethyl 2-propoxyethyl phosphate
CID 89373932

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(propoxy)phosphoryl]oxypropane?
The IUPAC name of 1-[methyl(propoxy)phosphoryl]oxypropane (CID 566276) is 1-[methyl(propoxy)phosphoryl]oxypropane.
What is the SMILES notation for 1-[methyl(propoxy)phosphoryl]oxypropane?
The canonical SMILES for 1-[methyl(propoxy)phosphoryl]oxypropane is CCCOP(C)(=O)OCCC.
What is the InChIKey of 1-[methyl(propoxy)phosphoryl]oxypropane?
The InChIKey is NRMHUSQXOMWJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O3P/c1-4-6-9-11(3,8)10-7-5-2/h4-7H2,1-3H3.
What are the key properties of 1-[methyl(propoxy)phosphoryl]oxypropane?
1-[methyl(propoxy)phosphoryl]oxypropane has a molecular weight of 180.18 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(propoxy)phosphoryl]oxypropane is sourced from PubChem (CID 566276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).