phosphoric acid;prop-1-ene

C3H18O16P4 — CID 175586036

IUPACphosphoric acid;prop-1-ene
SMILESC=CC.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/C3H6.4H3O4P/c1-3-2;4*1-5(2,3)4/h3H,1H2,2H3;4*(H3,1,2,3,4)
InChIKeyYXLHQNOBJYXPAT-UHFFFAOYSA-N
MW434.06 g/mol
LogP-2.52
Rot. Bonds

About phosphoric acid;prop-1-ene

phosphoric acid;prop-1-ene (PubChem CID 175586036) has the molecular formula C3H18O16P4 and a molecular weight of 434.06 g/mol. Its IUPAC name is phosphoric acid;prop-1-ene.

Molecular Properties

Compound Namephosphoric acid;prop-1-ene
PubChem CID175586036
Molecular FormulaC3H18O16P4
Molecular Weight434.06 g/mol
Exact Mass433.95
IUPAC Namephosphoric acid;prop-1-ene
SMILESC=CC.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/C3H6.4H3O4P/c1-3-2;4*1-5(2,3)4/h3H,1H2,2H3;4*(H3,1,2,3,4)
InChIKeyYXLHQNOBJYXPAT-UHFFFAOYSA-N
XLogP-2.52
TPSA311.04 Ų
H-Bond Donors12
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.06
LogP ≤ 5-2.52
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze phosphoric acid;prop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tris(ethenyl(dimethyl)silane);phosphoric acid
CID 175364714
methane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173442246
prop-1-ene
CID 162178440
dimethylphosphinic acid;ethene
CID 159258868
acetaldehyde;prop-1-ene
CID 157049777
oxovanadium;prop-1-ene
CID 174910979
bis(dimethylphosphinic acid);platinum
CID 58918492
methanamine;phosphoric acid
CID 173433743
oxophosphane;prop-1-ene
CID 21452107
methylphosphonic acid;uranium
CID 174844261
alumane;ethane;phosphoric acid
CID 173118040
methylphosphonic acid;dihydrochloride
CID 87344491

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;prop-1-ene?
The IUPAC name of phosphoric acid;prop-1-ene (CID 175586036) is phosphoric acid;prop-1-ene.
What is the SMILES notation for phosphoric acid;prop-1-ene?
The canonical SMILES for phosphoric acid;prop-1-ene is C=CC.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;prop-1-ene?
The InChIKey is YXLHQNOBJYXPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6.4H3O4P/c1-3-2;4*1-5(2,3)4/h3H,1H2,2H3;4*(H3,1,2,3,4).
What are the key properties of phosphoric acid;prop-1-ene?
phosphoric acid;prop-1-ene has a molecular weight of 434.06 g/mol, XLogP of -2.52, 0 rotatable bonds, 12 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;prop-1-ene is sourced from PubChem (CID 175586036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).