2-ethoxyprop-1-ene;phosphoric acid

C5H13O5P — CID 175275103

IUPAC2-ethoxyprop-1-ene;phosphoric acid
SMILESC=C(C)OCC.O=P(O)(O)O
InChIInChI=1S/C5H10O.H3O4P/c1-4-6-5(2)3;1-5(2,3)4/h2,4H2,1,3H3;(H3,1,2,3,4)
InChIKeyAUMMRSIANYYSBE-UHFFFAOYSA-N
MW184.13 g/mol
LogP0.63
Rot. Bonds2

About 2-ethoxyprop-1-ene;phosphoric acid

2-ethoxyprop-1-ene;phosphoric acid (PubChem CID 175275103) has the molecular formula C5H13O5P and a molecular weight of 184.13 g/mol. Its IUPAC name is 2-ethoxyprop-1-ene;phosphoric acid.

Molecular Properties

Compound Name2-ethoxyprop-1-ene;phosphoric acid
PubChem CID175275103
Molecular FormulaC5H13O5P
Molecular Weight184.13 g/mol
Exact Mass184.05
IUPAC Name2-ethoxyprop-1-ene;phosphoric acid
SMILESC=C(C)OCC.O=P(O)(O)O
InChIInChI=1S/C5H10O.H3O4P/c1-4-6-5(2)3;1-5(2,3)4/h2,4H2,1,3H3;(H3,1,2,3,4)
InChIKeyAUMMRSIANYYSBE-UHFFFAOYSA-N
XLogP0.63
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.13
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyprop-1-ene;phosphoric acid?
The IUPAC name of 2-ethoxyprop-1-ene;phosphoric acid (CID 175275103) is 2-ethoxyprop-1-ene;phosphoric acid.
What is the SMILES notation for 2-ethoxyprop-1-ene;phosphoric acid?
The canonical SMILES for 2-ethoxyprop-1-ene;phosphoric acid is C=C(C)OCC.O=P(O)(O)O.
What is the InChIKey of 2-ethoxyprop-1-ene;phosphoric acid?
The InChIKey is AUMMRSIANYYSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.H3O4P/c1-4-6-5(2)3;1-5(2,3)4/h2,4H2,1,3H3;(H3,1,2,3,4).
What are the key properties of 2-ethoxyprop-1-ene;phosphoric acid?
2-ethoxyprop-1-ene;phosphoric acid has a molecular weight of 184.13 g/mol, XLogP of 0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyprop-1-ene;phosphoric acid is sourced from PubChem (CID 175275103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).