ethene;2-hydroxyethyl dihydrogen phosphate

C18H39O5P — CID 173023199

IUPACethene;2-hydroxyethyl dihydrogen phosphate
SMILESC=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.O=P(O)(O)OCCO
InChIInChI=1S/C2H7O5P.8C2H4/c3-1-2-7-8(4,5)6;8*1-2/h3H,1-2H2,(H2,4,5,6);8*1-2H2
InChIKeyYLVXDTNHHOKOGG-UHFFFAOYSA-N
MW366.48 g/mol
LogP5.51
Rot. Bonds3

About ethene;2-hydroxyethyl dihydrogen phosphate

ethene;2-hydroxyethyl dihydrogen phosphate (PubChem CID 173023199) has the molecular formula C18H39O5P and a molecular weight of 366.48 g/mol. Its IUPAC name is ethene;2-hydroxyethyl dihydrogen phosphate.

Molecular Properties

Compound Nameethene;2-hydroxyethyl dihydrogen phosphate
PubChem CID173023199
Molecular FormulaC18H39O5P
Molecular Weight366.48 g/mol
Exact Mass366.25
IUPAC Nameethene;2-hydroxyethyl dihydrogen phosphate
SMILESC=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.O=P(O)(O)OCCO
InChIInChI=1S/C2H7O5P.8C2H4/c3-1-2-7-8(4,5)6;8*1-2/h3H,1-2H2,(H2,4,5,6);8*1-2H2
InChIKeyYLVXDTNHHOKOGG-UHFFFAOYSA-N
XLogP5.51
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.48
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl dihydrogen phosphate;phosphoric acid
CID 155226574
dicalcium;hydride;2-hydroxyethyl dihydrogen phosphate
CID 174231614
dichloronickel;2-hydroxyethyl dihydrogen phosphate;trichloroyttrium
CID 174854669
3-hydroxypropyl dihydrogen phosphate;phosphoric acid
CID 139534091
12-hydroxydodecyl dihydrogen phosphate
CID 24830904
8-hydroxyoctyl dihydrogen phosphate
CID 87681858
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276
ethane-1,2-diol;trimethyl(2-phosphonooxyethyl)azanium
CID 87302200
2-[hydroxy(2-hydroxyethoxy)phosphoryl]ethylphosphonic acid
CID 175439320
3-(2-hydroxyethylamino)propyl dihydrogen phosphate
CID 10655598
3-bromobut-3-enyl dihydrogen phosphate
CID 154998309

Frequently Asked Questions

What is the IUPAC name of ethene;2-hydroxyethyl dihydrogen phosphate?
The IUPAC name of ethene;2-hydroxyethyl dihydrogen phosphate (CID 173023199) is ethene;2-hydroxyethyl dihydrogen phosphate.
What is the SMILES notation for ethene;2-hydroxyethyl dihydrogen phosphate?
The canonical SMILES for ethene;2-hydroxyethyl dihydrogen phosphate is C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.O=P(O)(O)OCCO.
What is the InChIKey of ethene;2-hydroxyethyl dihydrogen phosphate?
The InChIKey is YLVXDTNHHOKOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7O5P.8C2H4/c3-1-2-7-8(4,5)6;8*1-2/h3H,1-2H2,(H2,4,5,6);8*1-2H2.
What are the key properties of ethene;2-hydroxyethyl dihydrogen phosphate?
ethene;2-hydroxyethyl dihydrogen phosphate has a molecular weight of 366.48 g/mol, XLogP of 5.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-hydroxyethyl dihydrogen phosphate is sourced from PubChem (CID 173023199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).