bis(2-phosphonooxyethyl) carbonate

C5H12O11P2 — CID 87299335

IUPACbis(2-phosphonooxyethyl) carbonate
SMILESO=C(OCCOP(=O)(O)O)OCCOP(=O)(O)O
InChIInChI=1S/C5H12O11P2/c6-5(13-1-3-15-17(7,8)9)14-2-4-16-18(10,11)12/h1-4H2,(H2,7,8,9)(H2,10,11,12)
InChIKeyZRMOQKGCVYURLA-UHFFFAOYSA-N
MW310.09 g/mol
LogP-0.64
Rot. Bonds8

About bis(2-phosphonooxyethyl) carbonate

bis(2-phosphonooxyethyl) carbonate (PubChem CID 87299335) has the molecular formula C5H12O11P2 and a molecular weight of 310.09 g/mol. Its IUPAC name is bis(2-phosphonooxyethyl) carbonate.

Molecular Properties

Compound Namebis(2-phosphonooxyethyl) carbonate
PubChem CID87299335
Molecular FormulaC5H12O11P2
Molecular Weight310.09 g/mol
Exact Mass309.99
IUPAC Namebis(2-phosphonooxyethyl) carbonate
SMILESO=C(OCCOP(=O)(O)O)OCCOP(=O)(O)O
InChIInChI=1S/C5H12O11P2/c6-5(13-1-3-15-17(7,8)9)14-2-4-16-18(10,11)12/h1-4H2,(H2,7,8,9)(H2,10,11,12)
InChIKeyZRMOQKGCVYURLA-UHFFFAOYSA-N
XLogP-0.64
TPSA169.05 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.09
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl phosphonooxymethyl carbonate
CID 175887543
propyl dihydrogen phosphate;urea
CID 88818408
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276
CID 174640608
CID 174640608
2-phosphonooxyethyl dodecanoate
CID 139925175
dihydroxy(oxo)phosphanium;2-phosphonooxyethyl 2-methylprop-2-enoate
CID 175310560
2-phosphonooxyethyl 2,2-dimethyl-4-oxopentanoate
CID 89410310
2-(2-methoxyethoxyperoxyperoxy)ethyl dihydrogen phosphate
CID 175366577
acetic acid;bis(2-aminoethyl dihydrogen phosphate);copper
CID 139211800
2-hydroxyethyl dihydrogen phosphate;phosphoric acid
CID 155226574
38-aminooctatriacontyl dihydrogen phosphate
CID 87686318

Frequently Asked Questions

What is the IUPAC name of bis(2-phosphonooxyethyl) carbonate?
The IUPAC name of bis(2-phosphonooxyethyl) carbonate (CID 87299335) is bis(2-phosphonooxyethyl) carbonate.
What is the SMILES notation for bis(2-phosphonooxyethyl) carbonate?
The canonical SMILES for bis(2-phosphonooxyethyl) carbonate is O=C(OCCOP(=O)(O)O)OCCOP(=O)(O)O.
What is the InChIKey of bis(2-phosphonooxyethyl) carbonate?
The InChIKey is ZRMOQKGCVYURLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O11P2/c6-5(13-1-3-15-17(7,8)9)14-2-4-16-18(10,11)12/h1-4H2,(H2,7,8,9)(H2,10,11,12).
What are the key properties of bis(2-phosphonooxyethyl) carbonate?
bis(2-phosphonooxyethyl) carbonate has a molecular weight of 310.09 g/mol, XLogP of -0.64, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-phosphonooxyethyl) carbonate is sourced from PubChem (CID 87299335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).