hydroxy-[3-(2-methylprop-2-enoyloxy)propyl]-oxophosphanium

C7H12O4P+ — CID 139672807

IUPAChydroxy-[3-(2-methylprop-2-enoyloxy)propyl]-oxophosphanium
SMILESC=C(C)C(=O)OCCC[P+](=O)O
InChIInChI=1S/C7H11O4P/c1-6(2)7(8)11-4-3-5-12(9)10/h1,3-5H2,2H3/p+1
InChIKeyOXXWBUSPJWDOKF-UHFFFAOYSA-O
MW191.14 g/mol
LogP1.23
Rot. Bonds5

About hydroxy-[3-(2-methylprop-2-enoyloxy)propyl]-oxophosphanium

hydroxy-[3-(2-methylprop-2-enoyloxy)propyl]-oxophosphanium (PubChem CID 139672807) has the molecular formula C7H12O4P+ and a molecular weight of 191.14 g/mol. Its IUPAC name is hydroxy-[3-(2-methylprop-2-enoyloxy)propyl]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[3-(2-methylprop-2-enoyloxy)propyl]-oxophosphanium
PubChem CID139672807
Molecular FormulaC7H12O4P+
Molecular Weight191.14 g/mol
Exact Mass191.05
IUPAC Namehydroxy-[3-(2-methylprop-2-enoyloxy)propyl]-oxophosphanium
SMILESC=C(C)C(=O)OCCC[P+](=O)O
InChIInChI=1S/C7H11O4P/c1-6(2)7(8)11-4-3-5-12(9)10/h1,3-5H2,2H3/p+1
InChIKeyOXXWBUSPJWDOKF-UHFFFAOYSA-O
XLogP1.23
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.14
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze hydroxy-[3-(2-methylprop-2-enoyloxy)propyl]-oxophosphanium 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

hydroxy-[9-(2-methylprop-2-enoyloxy)nonyl]-oxophosphanium
CID 139864378
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
hydroxy-[10-(2-methylprop-2-enoyloxy)decoxy]-oxophosphanium
CID 23389450
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
4-acetyloxybutyl 2-methylprop-2-enoate
CID 21403527
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
3-sulfanylpropyl 2-methylprop-2-enoate
CID 10034892
butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670
butyl 2-methylprop-2-enoate;methane
CID 159646333
3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid
CID 87531056

Frequently Asked Questions

What is the IUPAC name of hydroxy-[3-(2-methylprop-2-enoyloxy)propyl]-oxophosphanium?
The IUPAC name of hydroxy-[3-(2-methylprop-2-enoyloxy)propyl]-oxophosphanium (CID 139672807) is hydroxy-[3-(2-methylprop-2-enoyloxy)propyl]-oxophosphanium.
What is the SMILES notation for hydroxy-[3-(2-methylprop-2-enoyloxy)propyl]-oxophosphanium?
The canonical SMILES for hydroxy-[3-(2-methylprop-2-enoyloxy)propyl]-oxophosphanium is C=C(C)C(=O)OCCC[P+](=O)O.
What is the InChIKey of hydroxy-[3-(2-methylprop-2-enoyloxy)propyl]-oxophosphanium?
The InChIKey is OXXWBUSPJWDOKF-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H11O4P/c1-6(2)7(8)11-4-3-5-12(9)10/h1,3-5H2,2H3/p+1.
What are the key properties of hydroxy-[3-(2-methylprop-2-enoyloxy)propyl]-oxophosphanium?
hydroxy-[3-(2-methylprop-2-enoyloxy)propyl]-oxophosphanium has a molecular weight of 191.14 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[3-(2-methylprop-2-enoyloxy)propyl]-oxophosphanium is sourced from PubChem (CID 139672807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).