phosphoric acid;3-prop-2-enoxyprop-1-ene

C6H13O5P — CID 57465633

IUPACphosphoric acid;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.O=P(O)(O)O
InChIInChI=1S/C6H10O.H3O4P/c1-3-5-7-6-4-2;1-5(2,3)4/h3-4H,1-2,5-6H2;(H3,1,2,3,4)
InChIKeyOVNRHFSXICBEPA-UHFFFAOYSA-N
MW196.14 g/mol
LogP0.45
Rot. Bonds4

About phosphoric acid;3-prop-2-enoxyprop-1-ene

phosphoric acid;3-prop-2-enoxyprop-1-ene (PubChem CID 57465633) has the molecular formula C6H13O5P and a molecular weight of 196.14 g/mol. Its IUPAC name is phosphoric acid;3-prop-2-enoxyprop-1-ene.

Molecular Properties

Compound Namephosphoric acid;3-prop-2-enoxyprop-1-ene
PubChem CID57465633
Molecular FormulaC6H13O5P
Molecular Weight196.14 g/mol
Exact Mass196.05
IUPAC Namephosphoric acid;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.O=P(O)(O)O
InChIInChI=1S/C6H10O.H3O4P/c1-3-5-7-6-4-2;1-5(2,3)4/h3-4H,1-2,5-6H2;(H3,1,2,3,4)
InChIKeyOVNRHFSXICBEPA-UHFFFAOYSA-N
XLogP0.45
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phosphoric acid;3-prop-2-enoxyprop-1-ene?
The IUPAC name of phosphoric acid;3-prop-2-enoxyprop-1-ene (CID 57465633) is phosphoric acid;3-prop-2-enoxyprop-1-ene.
What is the SMILES notation for phosphoric acid;3-prop-2-enoxyprop-1-ene?
The canonical SMILES for phosphoric acid;3-prop-2-enoxyprop-1-ene is C=CCOCC=C.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;3-prop-2-enoxyprop-1-ene?
The InChIKey is OVNRHFSXICBEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.H3O4P/c1-3-5-7-6-4-2;1-5(2,3)4/h3-4H,1-2,5-6H2;(H3,1,2,3,4).
What are the key properties of phosphoric acid;3-prop-2-enoxyprop-1-ene?
phosphoric acid;3-prop-2-enoxyprop-1-ene has a molecular weight of 196.14 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;3-prop-2-enoxyprop-1-ene is sourced from PubChem (CID 57465633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).