tris(2-methoxypropyl) phosphate

C12H27O7P — CID 88697262

IUPACtris(2-methoxypropyl) phosphate
SMILESCOC(C)COP(=O)(OCC(C)OC)OCC(C)OC
InChIInChI=1S/C12H27O7P/c1-10(14-4)7-17-20(13,18-8-11(2)15-5)19-9-12(3)16-6/h10-12H,7-9H2,1-6H3
InChIKeyBZZQSKIYWUCWDM-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.25
Rot. Bonds12

About tris(2-methoxypropyl) phosphate

tris(2-methoxypropyl) phosphate (PubChem CID 88697262) has the molecular formula C12H27O7P and a molecular weight of 314.32 g/mol. Its IUPAC name is tris(2-methoxypropyl) phosphate.

Molecular Properties

Compound Nametris(2-methoxypropyl) phosphate
PubChem CID88697262
Molecular FormulaC12H27O7P
Molecular Weight314.32 g/mol
Exact Mass314.15
IUPAC Nametris(2-methoxypropyl) phosphate
SMILESCOC(C)COP(=O)(OCC(C)OC)OCC(C)OC
InChIInChI=1S/C12H27O7P/c1-10(14-4)7-17-20(13,18-8-11(2)15-5)19-9-12(3)16-6/h10-12H,7-9H2,1-6H3
InChIKeyBZZQSKIYWUCWDM-UHFFFAOYSA-N
XLogP2.25
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

tris[(2R)-2-chloropropyl] phosphate
CID 91865019
(2,2-dihydroxypropylamino) 2-methoxypropyl 1-sulfanylethyl phosphate
CID 139606330
1,2-dimethoxypropane;thulium
CID 175866702
1,2-dimethoxypropane;ytterbium
CID 175853617
1,2-dimethoxypropane;holmium
CID 175853773
bis(2-methylpropyl) pentyl phosphate
CID 54560421
bis(2-bromopropyl) 2-chloropropyl phosphate
CID 71364134
chloro methyl 2-methylpropyl phosphate
CID 118608255
bis(2-chloropropyl) propyl phosphate
CID 142724190
alumane;2-methoxy-1-phosphorosooxypropane
CID 175063077
2-methylpropyl dipropan-2-yl phosphate
CID 10728615
tris[2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propyl] phosphate
CID 169445617

Frequently Asked Questions

What is the IUPAC name of tris(2-methoxypropyl) phosphate?
The IUPAC name of tris(2-methoxypropyl) phosphate (CID 88697262) is tris(2-methoxypropyl) phosphate.
What is the SMILES notation for tris(2-methoxypropyl) phosphate?
The canonical SMILES for tris(2-methoxypropyl) phosphate is COC(C)COP(=O)(OCC(C)OC)OCC(C)OC.
What is the InChIKey of tris(2-methoxypropyl) phosphate?
The InChIKey is BZZQSKIYWUCWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O7P/c1-10(14-4)7-17-20(13,18-8-11(2)15-5)19-9-12(3)16-6/h10-12H,7-9H2,1-6H3.
What are the key properties of tris(2-methoxypropyl) phosphate?
tris(2-methoxypropyl) phosphate has a molecular weight of 314.32 g/mol, XLogP of 2.25, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methoxypropyl) phosphate is sourced from PubChem (CID 88697262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).