1-[methoxy(propyl)phosphoryl]oxypropane

C7H17O3P — CID 587089

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

About 1-[methoxy(propyl)phosphoryl]oxypropane

1-[methoxy(propyl)phosphoryl]oxypropane (PubChem CID 587089) has the molecular formula C7H17O3P and a molecular weight of 180.18 g/mol. Its IUPAC name is 1-[methoxy(propyl)phosphoryl]oxypropane.

Molecular Properties

Compound Name1-[methoxy(propyl)phosphoryl]oxypropane
PubChem CID587089
Molecular FormulaC7H17O3P
Molecular Weight180.18 g/mol
Exact Mass180.09
IUPAC Name1-[methoxy(propyl)phosphoryl]oxypropane
SMILESCCCOP(=O)(CCC)OC
InChIInChI=1S/C7H17O3P/c1-4-6-10-11(8,9-3)7-5-2/h4-7H2,1-3H3
InChIKeyHESDOPCBFGNVOW-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

1-[decyl(methoxy)phosphoryl]oxydecane
CID 174626328
1-[ethoxy(methoxy)phosphoryl]butane
CID 86081258
1-[dibutoxyphosphorylmethyl(methoxy)phosphoryl]oxybutane
CID 23044732
1-[dimethoxyphosphoryl(propoxy)phosphoryl]oxypropane
CID 18430553
butyl 3-[butoxy(methoxy)phosphoryl]propanoate
CID 175431818
3-dipropoxyphosphorylpropanoic acid
CID 34250012
dipropoxyphosphorylmethylphosphonic acid
CID 57255852
1-[methyl(propoxy)phosphoryl]oxypropane
CID 566276
1-[2,2-dimethylpropoxy(propyl)phosphoryl]oxy-2,2-dimethylpropane
CID 14898577
N-[methoxy(propoxy)phosphoryl]-N-methylmethanamine
CID 541932
diiodo propyl phosphate
CID 175578929
1-didecoxyphosphoryltetradecane
CID 151616748

Frequently Asked Questions

What is the IUPAC name of 1-[methoxy(propyl)phosphoryl]oxypropane?
The IUPAC name of 1-[methoxy(propyl)phosphoryl]oxypropane (CID 587089) is 1-[methoxy(propyl)phosphoryl]oxypropane.
What is the SMILES notation for 1-[methoxy(propyl)phosphoryl]oxypropane?
The canonical SMILES for 1-[methoxy(propyl)phosphoryl]oxypropane is CCCOP(=O)(CCC)OC.
What is the InChIKey of 1-[methoxy(propyl)phosphoryl]oxypropane?
The InChIKey is HESDOPCBFGNVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O3P/c1-4-6-10-11(8,9-3)7-5-2/h4-7H2,1-3H3.
What are the key properties of 1-[methoxy(propyl)phosphoryl]oxypropane?
1-[methoxy(propyl)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-[methoxy(propyl)phosphoryl]oxypropane is sourced from PubChem (CID 587089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).