phosphoric acid;1-prop-1-enoxyperoxyperoxyperoxytetradecane

C17H37O11P — CID 173006854

IUPACphosphoric acid;1-prop-1-enoxyperoxyperoxyperoxytetradecane
SMILESCC=COOOOOOOCCCCCCCCCCCCCC.O=P(O)(O)O
InChIInChI=1S/C17H34O7.H3O4P/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-19-21-23-24-22-20-18-16-4-2;1-5(2,3)4/h4,16H,3,5-15,17H2,1-2H3;(H3,1,2,3,4)
InChIKeyAXBQCQZMVNFTHW-UHFFFAOYSA-N
MW448.45 g/mol
LogP4.90
Rot. Bonds20

About phosphoric acid;1-prop-1-enoxyperoxyperoxyperoxytetradecane

phosphoric acid;1-prop-1-enoxyperoxyperoxyperoxytetradecane (PubChem CID 173006854) has the molecular formula C17H37O11P and a molecular weight of 448.45 g/mol. Its IUPAC name is phosphoric acid;1-prop-1-enoxyperoxyperoxyperoxytetradecane.

Molecular Properties

Compound Namephosphoric acid;1-prop-1-enoxyperoxyperoxyperoxytetradecane
PubChem CID173006854
Molecular FormulaC17H37O11P
Molecular Weight448.45 g/mol
Exact Mass448.21
IUPAC Namephosphoric acid;1-prop-1-enoxyperoxyperoxyperoxytetradecane
SMILESCC=COOOOOOOCCCCCCCCCCCCCC.O=P(O)(O)O
InChIInChI=1S/C17H34O7.H3O4P/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-19-21-23-24-22-20-18-16-4-2;1-5(2,3)4/h4,16H,3,5-15,17H2,1-2H3;(H3,1,2,3,4)
InChIKeyAXBQCQZMVNFTHW-UHFFFAOYSA-N
XLogP4.90
TPSA142.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

phosphoric acid;1-prop-1-enoxyperoxyperoxyperoxyoctadecane
CID 173006830
8-methyl-1-prop-1-enoxyperoxyperoxyperoxynonane;phosphoric acid
CID 173006796
phosphoric acid;1-prop-1-enoxydodecane
CID 175408861
dodecylperoxy dihydrogen phosphate
CID 54416216
1-ethenylperoxyperoxyperoxyoctadecane
CID 87099660
8-methyl-1-prop-1-enoxyperoxyperoxynonane
CID 173006774
11-methyl-1-prop-1-enoxyperoxyperoxyperoxyperoxydodecane
CID 173006752
2-dodecylperoxyperoxyethenyl 2-methylprop-2-enoate
CID 156777293
1-butylperoxyperoxynonane
CID 90169675
1-ethenylperoxyperoxyhexane
CID 18622337
1-(trioxidanylperoxyperoxy)hexadecane
CID 141273447
1-prop-1-enylperoxybutane
CID 161452621

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;1-prop-1-enoxyperoxyperoxyperoxytetradecane?
The IUPAC name of phosphoric acid;1-prop-1-enoxyperoxyperoxyperoxytetradecane (CID 173006854) is phosphoric acid;1-prop-1-enoxyperoxyperoxyperoxytetradecane.
What is the SMILES notation for phosphoric acid;1-prop-1-enoxyperoxyperoxyperoxytetradecane?
The canonical SMILES for phosphoric acid;1-prop-1-enoxyperoxyperoxyperoxytetradecane is CC=COOOOOOOCCCCCCCCCCCCCC.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;1-prop-1-enoxyperoxyperoxyperoxytetradecane?
The InChIKey is AXBQCQZMVNFTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O7.H3O4P/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-19-21-23-24-22-20-18-16-4-2;1-5(2,3)4/h4,16H,3,5-15,17H2,1-2H3;(H3,1,2,3,4).
What are the key properties of phosphoric acid;1-prop-1-enoxyperoxyperoxyperoxytetradecane?
phosphoric acid;1-prop-1-enoxyperoxyperoxyperoxytetradecane has a molecular weight of 448.45 g/mol, XLogP of 4.90, 20 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;1-prop-1-enoxyperoxyperoxyperoxytetradecane is sourced from PubChem (CID 173006854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).