ethyl dihydrogen phosphate;trimethyl phosphate

C5H16O8P2 — CID 160912301

IUPACethyl dihydrogen phosphate;trimethyl phosphate
SMILESCCOP(=O)(O)O.COP(=O)(OC)OC
InChIInChI=1S/C3H9O4P.C2H7O4P/c1-5-8(4,6-2)7-3;1-2-6-7(3,4)5/h1-3H3;2H2,1H3,(H2,3,4,5)
InChIKeySQYJZLSAJZLVOF-UHFFFAOYSA-N
MW266.12 g/mol
LogP1.15
Rot. Bonds5

About ethyl dihydrogen phosphate;trimethyl phosphate

ethyl dihydrogen phosphate;trimethyl phosphate (PubChem CID 160912301) has the molecular formula C5H16O8P2 and a molecular weight of 266.12 g/mol. Its IUPAC name is ethyl dihydrogen phosphate;trimethyl phosphate.

Molecular Properties

Compound Nameethyl dihydrogen phosphate;trimethyl phosphate
PubChem CID160912301
Molecular FormulaC5H16O8P2
Molecular Weight266.12 g/mol
Exact Mass266.03
IUPAC Nameethyl dihydrogen phosphate;trimethyl phosphate
SMILESCCOP(=O)(O)O.COP(=O)(OC)OC
InChIInChI=1S/C3H9O4P.C2H7O4P/c1-5-8(4,6-2)7-3;1-2-6-7(3,4)5/h1-3H3;2H2,1H3,(H2,3,4,5)
InChIKeySQYJZLSAJZLVOF-UHFFFAOYSA-N
XLogP1.15
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.12
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

alumane;tris(ethyl dihydrogen phosphate)
CID 173189565
alumane;ethyl dihydrogen phosphate
CID 173113989
azane;bis(ethyl dihydrogen phosphate)
CID 174611775
CID 87495286
CID 87495286
potassium;tris(ethyl dihydrogen phosphate);hydride
CID 173395794
ethyl dihydrogen phosphate;N-methylmethanamine
CID 88518083
sodium;dihydroxy(oxo)phosphanium;ethyl dihydrogen phosphate;hydride
CID 173290588
ethyl dihydrogen phosphate;methyl prop-2-enoate
CID 158276127
propyl dihydrogen phosphate;urea
CID 88818408
diethyl hydrogen phosphate;dimethyl hydrogen phosphate;dihydrochloride
CID 173401897
potassium;hydride;phosphoric acid;trimethyl phosphate
CID 174889020
diethoxy methyl phosphate
CID 154199840

Frequently Asked Questions

What is the IUPAC name of ethyl dihydrogen phosphate;trimethyl phosphate?
The IUPAC name of ethyl dihydrogen phosphate;trimethyl phosphate (CID 160912301) is ethyl dihydrogen phosphate;trimethyl phosphate.
What is the SMILES notation for ethyl dihydrogen phosphate;trimethyl phosphate?
The canonical SMILES for ethyl dihydrogen phosphate;trimethyl phosphate is CCOP(=O)(O)O.COP(=O)(OC)OC.
What is the InChIKey of ethyl dihydrogen phosphate;trimethyl phosphate?
The InChIKey is SQYJZLSAJZLVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9O4P.C2H7O4P/c1-5-8(4,6-2)7-3;1-2-6-7(3,4)5/h1-3H3;2H2,1H3,(H2,3,4,5).
What are the key properties of ethyl dihydrogen phosphate;trimethyl phosphate?
ethyl dihydrogen phosphate;trimethyl phosphate has a molecular weight of 266.12 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl dihydrogen phosphate;trimethyl phosphate is sourced from PubChem (CID 160912301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).