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

C8H17O6P — CID 174429158

IUPACoxirane;phosphoric acid;3-prop-2-enoxyprop-1-ene
SMILESC1CO1.C=CCOCC=C.O=P(O)(O)O
InChIInChI=1S/C6H10O.C2H4O.H3O4P/c1-3-5-7-6-4-2;1-2-3-1;1-5(2,3)4/h3-4H,1-2,5-6H2;1-2H2;(H3,1,2,3,4)
InChIKeyXCXZVWRGRKWEGM-UHFFFAOYSA-N
MW240.19 g/mol
LogP0.46
Rot. Bonds4

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

oxirane;phosphoric acid;3-prop-2-enoxyprop-1-ene (PubChem CID 174429158) has the molecular formula C8H17O6P and a molecular weight of 240.19 g/mol. Its IUPAC name is oxirane;phosphoric acid;3-prop-2-enoxyprop-1-ene.

Molecular Properties

Compound Nameoxirane;phosphoric acid;3-prop-2-enoxyprop-1-ene
PubChem CID174429158
Molecular FormulaC8H17O6P
Molecular Weight240.19 g/mol
Exact Mass240.08
IUPAC Nameoxirane;phosphoric acid;3-prop-2-enoxyprop-1-ene
SMILESC1CO1.C=CCOCC=C.O=P(O)(O)O
InChIInChI=1S/C6H10O.C2H4O.H3O4P/c1-3-5-7-6-4-2;1-2-3-1;1-5(2,3)4/h3-4H,1-2,5-6H2;1-2H2;(H3,1,2,3,4)
InChIKeyXCXZVWRGRKWEGM-UHFFFAOYSA-N
XLogP0.46
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.19
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze oxirane;phosphoric acid;3-prop-2-enoxyprop-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

oxirane;phosphoric acid;prop-2-enoxybenzene
CID 174439395
CID 88655409
CID 88655409
ethenylphosphonic acid;oxirane
CID 174918550
prop-2-enoxymethylphosphonic acid
CID 12585568
CID 87625662
CID 87625662
Potassium allyloxide
CID 87828396
1,3,2-dioxathiolane 2,2-dioxide;3-prop-2-enoxyprop-1-ene;hydrate
CID 174358407
2,5-dihydrofuran;3-prop-2-enoxyprop-1-ene
CID 157214114
methane;3-prop-2-enoxyprop-1-ene;sulfuric acid
CID 87964358
cyclohexane;bis(prop-2-en-1-ol);3-prop-2-enoxyprop-1-ene
CID 67065277
trisodium;hydride;phosphoric acid;prop-2-enyl dihydrogen phosphate
CID 174828958
azane;3-prop-2-enoxyprop-1-ene;hydrochloride
CID 173111955

Frequently Asked Questions

What is the IUPAC name of oxirane;phosphoric acid;3-prop-2-enoxyprop-1-ene?
The IUPAC name of oxirane;phosphoric acid;3-prop-2-enoxyprop-1-ene (CID 174429158) is oxirane;phosphoric acid;3-prop-2-enoxyprop-1-ene.
What is the SMILES notation for oxirane;phosphoric acid;3-prop-2-enoxyprop-1-ene?
The canonical SMILES for oxirane;phosphoric acid;3-prop-2-enoxyprop-1-ene is C1CO1.C=CCOCC=C.O=P(O)(O)O.
What is the InChIKey of oxirane;phosphoric acid;3-prop-2-enoxyprop-1-ene?
The InChIKey is XCXZVWRGRKWEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C2H4O.H3O4P/c1-3-5-7-6-4-2;1-2-3-1;1-5(2,3)4/h3-4H,1-2,5-6H2;1-2H2;(H3,1,2,3,4).
What are the key properties of oxirane;phosphoric acid;3-prop-2-enoxyprop-1-ene?
oxirane;phosphoric acid;3-prop-2-enoxyprop-1-ene has a molecular weight of 240.19 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxirane;phosphoric acid;3-prop-2-enoxyprop-1-ene is sourced from PubChem (CID 174429158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).