1,1-dimethoxypropyl-methoxy-oxophosphanium

C6H14O4P+ — CID 87455518

IUPAC1,1-dimethoxypropyl-methoxy-oxophosphanium
SMILESCCC(OC)(OC)[P+](=O)OC
InChIInChI=1S/C6H14O4P/c1-5-6(8-2,9-3)11(7)10-4/h5H2,1-4H3/q+1
InChIKeyTVDRZSXQNOBNJE-UHFFFAOYSA-N
MW181.15 g/mol
LogP1.73
Rot. Bonds5

About 1,1-dimethoxypropyl-methoxy-oxophosphanium

1,1-dimethoxypropyl-methoxy-oxophosphanium (PubChem CID 87455518) has the molecular formula C6H14O4P+ and a molecular weight of 181.15 g/mol. Its IUPAC name is 1,1-dimethoxypropyl-methoxy-oxophosphanium.

Molecular Properties

Compound Name1,1-dimethoxypropyl-methoxy-oxophosphanium
PubChem CID87455518
Molecular FormulaC6H14O4P+
Molecular Weight181.15 g/mol
Exact Mass181.06
IUPAC Name1,1-dimethoxypropyl-methoxy-oxophosphanium
SMILESCCC(OC)(OC)[P+](=O)OC
InChIInChI=1S/C6H14O4P/c1-5-6(8-2,9-3)11(7)10-4/h5H2,1-4H3/q+1
InChIKeyTVDRZSXQNOBNJE-UHFFFAOYSA-N
XLogP1.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

methoxy-(2-methylbutan-2-yl)-oxophosphanium
CID 59746139
hydroperoxy-methyl-oxophosphanium
CID 18335943
diethylamino-methoxy-oxophosphanium
CID 15437034
2-hydroxyethyl-methoxy-oxophosphanium
CID 118907255
1-methoxypropane-1,1-diolate
CID 86748448
(1-dihydroxyphosphinimyl-1-methoxypropyl)phosphonic acid
CID 155056591
1,1-difluorobutyl-ethoxy-oxophosphanium
CID 10261826
pentakis(decane);hydroxy-methoxy-oxophosphanium
CID 173118526
hydroxy-methoxy-oxophosphanium;tetradecane
CID 87604776
magnesium;ethoxy-methoxy-oxophosphanium;hydride
CID 175376011
bis(3-fluoropentan-3-yloxy)-oxophosphanium
CID 88634280
[bis[[methyl(oxo)phosphaniumyl]oxy]phosphorylmethyl-(2-methoxypropan-2-yloxy)phosphoryl]oxy-methyl-oxophosphanium
CID 167601012

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxypropyl-methoxy-oxophosphanium?
The IUPAC name of 1,1-dimethoxypropyl-methoxy-oxophosphanium (CID 87455518) is 1,1-dimethoxypropyl-methoxy-oxophosphanium.
What is the SMILES notation for 1,1-dimethoxypropyl-methoxy-oxophosphanium?
The canonical SMILES for 1,1-dimethoxypropyl-methoxy-oxophosphanium is CCC(OC)(OC)[P+](=O)OC.
What is the InChIKey of 1,1-dimethoxypropyl-methoxy-oxophosphanium?
The InChIKey is TVDRZSXQNOBNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4P/c1-5-6(8-2,9-3)11(7)10-4/h5H2,1-4H3/q+1.
What are the key properties of 1,1-dimethoxypropyl-methoxy-oxophosphanium?
1,1-dimethoxypropyl-methoxy-oxophosphanium has a molecular weight of 181.15 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxypropyl-methoxy-oxophosphanium is sourced from PubChem (CID 87455518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).