methyl-[4-(2-methylprop-2-enoyloxy)butyl]phosphinic acid

C9H17O4P — CID 139843889

IUPACmethyl-[4-(2-methylprop-2-enoyloxy)butyl]phosphinic acid
SMILESC=C(C)C(=O)OCCCCP(C)(=O)O
InChIInChI=1S/C9H17O4P/c1-8(2)9(10)13-6-4-5-7-14(3,11)12/h1,4-7H2,2-3H3,(H,11,12)
InChIKeyHJOLOLQUVKBIIZ-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.79
Rot. Bonds6

About methyl-[4-(2-methylprop-2-enoyloxy)butyl]phosphinic acid

methyl-[4-(2-methylprop-2-enoyloxy)butyl]phosphinic acid (PubChem CID 139843889) has the molecular formula C9H17O4P and a molecular weight of 220.20 g/mol. Its IUPAC name is methyl-[4-(2-methylprop-2-enoyloxy)butyl]phosphinic acid.

Molecular Properties

Compound Namemethyl-[4-(2-methylprop-2-enoyloxy)butyl]phosphinic acid
PubChem CID139843889
Molecular FormulaC9H17O4P
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Namemethyl-[4-(2-methylprop-2-enoyloxy)butyl]phosphinic acid
SMILESC=C(C)C(=O)OCCCCP(C)(=O)O
InChIInChI=1S/C9H17O4P/c1-8(2)9(10)13-6-4-5-7-14(3,11)12/h1,4-7H2,2-3H3,(H,11,12)
InChIKeyHJOLOLQUVKBIIZ-UHFFFAOYSA-N
XLogP1.79
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.79
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 methyl-[4-(2-methylprop-2-enoyloxy)butyl]phosphinic 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

bis[4-(2-methylprop-2-enoyloxy)butyl]phosphinic acid
CID 87234792
methyl-[2-(2-methylprop-2-enoyloxy)ethyl]phosphinic acid
CID 130373144
3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid
CID 87531056
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
dodecyl-[6-(2-methylprop-2-enoyloxy)hexyl]phosphinic acid
CID 139843857
dodecyl-[5-(2-methylprop-2-enoyloxy)pentyl]phosphinic acid
CID 139843900
4-(2-methylprop-2-enoyloxy)butyl-octadecylphosphinic acid
CID 139843904
dodecyl-[8-(2-methylprop-2-enoyloxy)octyl]phosphinic acid
CID 139843858
methyl-[10-(2-methylprop-2-enoyloxy)decoxy]phosphinic acid
CID 164973932
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
ethyl-[3-(2-methylprop-2-enoyloxy)propyl]phosphinic acid
CID 139789755
7-methoxyheptyl 2-methylprop-2-enoate
CID 58788817

Frequently Asked Questions

What is the IUPAC name of methyl-[4-(2-methylprop-2-enoyloxy)butyl]phosphinic acid?
The IUPAC name of methyl-[4-(2-methylprop-2-enoyloxy)butyl]phosphinic acid (CID 139843889) is methyl-[4-(2-methylprop-2-enoyloxy)butyl]phosphinic acid.
What is the SMILES notation for methyl-[4-(2-methylprop-2-enoyloxy)butyl]phosphinic acid?
The canonical SMILES for methyl-[4-(2-methylprop-2-enoyloxy)butyl]phosphinic acid is C=C(C)C(=O)OCCCCP(C)(=O)O.
What is the InChIKey of methyl-[4-(2-methylprop-2-enoyloxy)butyl]phosphinic acid?
The InChIKey is HJOLOLQUVKBIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O4P/c1-8(2)9(10)13-6-4-5-7-14(3,11)12/h1,4-7H2,2-3H3,(H,11,12).
What are the key properties of methyl-[4-(2-methylprop-2-enoyloxy)butyl]phosphinic acid?
methyl-[4-(2-methylprop-2-enoyloxy)butyl]phosphinic acid has a molecular weight of 220.20 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[4-(2-methylprop-2-enoyloxy)butyl]phosphinic acid is sourced from PubChem (CID 139843889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).