8-methyl-1-prop-1-enoxyperoxyperoxyperoxynonane;phosphoric acid

C13H29O11P — CID 173006796

IUPAC8-methyl-1-prop-1-enoxyperoxyperoxyperoxynonane;phosphoric acid
SMILESCC=COOOOOOOCCCCCCCC(C)C.O=P(O)(O)O
InChIInChI=1S/C13H26O7.H3O4P/c1-4-11-14-16-18-20-19-17-15-12-9-7-5-6-8-10-13(2)3;1-5(2,3)4/h4,11,13H,5-10,12H2,1-3H3;(H3,1,2,3,4)
InChIKeyBVRQVTUZGQZOSP-UHFFFAOYSA-N
MW392.34 g/mol
LogP3.19
Rot. Bonds15

About 8-methyl-1-prop-1-enoxyperoxyperoxyperoxynonane;phosphoric acid

8-methyl-1-prop-1-enoxyperoxyperoxyperoxynonane;phosphoric acid (PubChem CID 173006796) has the molecular formula C13H29O11P and a molecular weight of 392.34 g/mol. Its IUPAC name is 8-methyl-1-prop-1-enoxyperoxyperoxyperoxynonane;phosphoric acid.

Molecular Properties

Compound Name8-methyl-1-prop-1-enoxyperoxyperoxyperoxynonane;phosphoric acid
PubChem CID173006796
Molecular FormulaC13H29O11P
Molecular Weight392.34 g/mol
Exact Mass392.14
IUPAC Name8-methyl-1-prop-1-enoxyperoxyperoxyperoxynonane;phosphoric acid
SMILESCC=COOOOOOOCCCCCCCC(C)C.O=P(O)(O)O
InChIInChI=1S/C13H26O7.H3O4P/c1-4-11-14-16-18-20-19-17-15-12-9-7-5-6-8-10-13(2)3;1-5(2,3)4/h4,11,13H,5-10,12H2,1-3H3;(H3,1,2,3,4)
InChIKeyBVRQVTUZGQZOSP-UHFFFAOYSA-N
XLogP3.19
TPSA142.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 53.19
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'}

Analyze 8-methyl-1-prop-1-enoxyperoxyperoxyperoxynonane;phosphoric acid 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

11-methyl-1-prop-1-enoxyperoxyperoxyperoxyperoxydodecane
CID 173006752
8-methyl-1-prop-1-enoxyperoxyperoxynonane
CID 173006774
phosphoric acid;1-prop-1-enoxyperoxyperoxyperoxyoctadecane
CID 173006830
phosphoric acid;1-prop-1-enoxyperoxyperoxyperoxytetradecane
CID 173006854
1-ethenoxyperoxyperoxyperoxy-10-methylundecane
CID 87099678
1-ethenoxyperoxyperoxyperoxyperoxy-10-methylundecane
CID 87099645
8-methyl-1-prop-1-enoxynonane
CID 152729157
6-methylheptoxy 6-methylheptyl hydrogen phosphate
CID 171569206
bis(20-methylhenicosyl) hydrogen phosphate
CID 141458391
bis(12-methyltridecyl) hydrogen phosphate
CID 141458390
[hydroxy(6-methylheptoxy)phosphoryl] 6-methylheptyl hydrogen phosphate
CID 534663
6-methylheptan-1-ol;phosphoric acid
CID 138394969

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-prop-1-enoxyperoxyperoxyperoxynonane;phosphoric acid?
The IUPAC name of 8-methyl-1-prop-1-enoxyperoxyperoxyperoxynonane;phosphoric acid (CID 173006796) is 8-methyl-1-prop-1-enoxyperoxyperoxyperoxynonane;phosphoric acid.
What is the SMILES notation for 8-methyl-1-prop-1-enoxyperoxyperoxyperoxynonane;phosphoric acid?
The canonical SMILES for 8-methyl-1-prop-1-enoxyperoxyperoxyperoxynonane;phosphoric acid is CC=COOOOOOOCCCCCCCC(C)C.O=P(O)(O)O.
What is the InChIKey of 8-methyl-1-prop-1-enoxyperoxyperoxyperoxynonane;phosphoric acid?
The InChIKey is BVRQVTUZGQZOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O7.H3O4P/c1-4-11-14-16-18-20-19-17-15-12-9-7-5-6-8-10-13(2)3;1-5(2,3)4/h4,11,13H,5-10,12H2,1-3H3;(H3,1,2,3,4).
What are the key properties of 8-methyl-1-prop-1-enoxyperoxyperoxyperoxynonane;phosphoric acid?
8-methyl-1-prop-1-enoxyperoxyperoxyperoxynonane;phosphoric acid has a molecular weight of 392.34 g/mol, XLogP of 3.19, 15 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-prop-1-enoxyperoxyperoxyperoxynonane;phosphoric acid is sourced from PubChem (CID 173006796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).