dimethyl phenyl phosphate;ethane;trimethyl phosphate

C13H26O8P2 — CID 90867053

IUPACdimethyl phenyl phosphate;ethane;trimethyl phosphate
SMILESCC.COP(=O)(OC)OC.COP(=O)(OC)Oc1ccccc1
InChIInChI=1S/C8H11O4P.C3H9O4P.C2H6/c1-10-13(9,11-2)12-8-6-4-3-5-7-8;1-5-8(4,6-2)7-3;1-2/h3-7H,1-2H3;1-3H3;1-2H3
InChIKeyKJJTUFDVUONULT-UHFFFAOYSA-N
MW372.29 g/mol
LogP4.53
Rot. Bonds7

About dimethyl phenyl phosphate;ethane;trimethyl phosphate

dimethyl phenyl phosphate;ethane;trimethyl phosphate (PubChem CID 90867053) has the molecular formula C13H26O8P2 and a molecular weight of 372.29 g/mol. Its IUPAC name is dimethyl phenyl phosphate;ethane;trimethyl phosphate.

Molecular Properties

Compound Namedimethyl phenyl phosphate;ethane;trimethyl phosphate
PubChem CID90867053
Molecular FormulaC13H26O8P2
Molecular Weight372.29 g/mol
Exact Mass372.11
IUPAC Namedimethyl phenyl phosphate;ethane;trimethyl phosphate
SMILESCC.COP(=O)(OC)OC.COP(=O)(OC)Oc1ccccc1
InChIInChI=1S/C8H11O4P.C3H9O4P.C2H6/c1-10-13(9,11-2)12-8-6-4-3-5-7-8;1-5-8(4,6-2)7-3;1-2/h3-7H,1-2H3;1-3H3;1-2H3
InChIKeyKJJTUFDVUONULT-UHFFFAOYSA-N
XLogP4.53
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

ethenyl methyl phenyl phosphate
CID 11593721
triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
methyl (3-methylphenyl) phenyl phosphate
CID 21410402
2-methylpropane;triphenyl phosphate
CID 91193965
[methoxy(methyl)phosphoryl]oxybenzene
CID 564592
diphenoxyphosphoryl diphenyl phosphate;propane
CID 162105616
methoxymethyl diphenyl phosphate
CID 18345572
diphenyl silyl phosphate
CID 71371486
CID 175741196
CID 175741196
tris(4-phenoxyphenyl) phosphate
CID 70576220
[amino(methyl)phosphoryl]oxybenzene
CID 11864135

Frequently Asked Questions

What is the IUPAC name of dimethyl phenyl phosphate;ethane;trimethyl phosphate?
The IUPAC name of dimethyl phenyl phosphate;ethane;trimethyl phosphate (CID 90867053) is dimethyl phenyl phosphate;ethane;trimethyl phosphate.
What is the SMILES notation for dimethyl phenyl phosphate;ethane;trimethyl phosphate?
The canonical SMILES for dimethyl phenyl phosphate;ethane;trimethyl phosphate is CC.COP(=O)(OC)OC.COP(=O)(OC)Oc1ccccc1.
What is the InChIKey of dimethyl phenyl phosphate;ethane;trimethyl phosphate?
The InChIKey is KJJTUFDVUONULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O4P.C3H9O4P.C2H6/c1-10-13(9,11-2)12-8-6-4-3-5-7-8;1-5-8(4,6-2)7-3;1-2/h3-7H,1-2H3;1-3H3;1-2H3.
What are the key properties of dimethyl phenyl phosphate;ethane;trimethyl phosphate?
dimethyl phenyl phosphate;ethane;trimethyl phosphate has a molecular weight of 372.29 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl phenyl phosphate;ethane;trimethyl phosphate is sourced from PubChem (CID 90867053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).