ethyl-[3-(2-methylprop-2-enoyloxy)propyl]phosphinic acid

C9H17O4P — CID 139789755

IUPACethyl-[3-(2-methylprop-2-enoyloxy)propyl]phosphinic acid
SMILESC=C(C)C(=O)OCCCP(=O)(O)CC
InChIInChI=1S/C9H17O4P/c1-4-14(11,12)7-5-6-13-9(10)8(2)3/h2,4-7H2,1,3H3,(H,11,12)
InChIKeyFTOAXOXCUVRPPV-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.79
Rot. Bonds6

About ethyl-[3-(2-methylprop-2-enoyloxy)propyl]phosphinic acid

ethyl-[3-(2-methylprop-2-enoyloxy)propyl]phosphinic acid (PubChem CID 139789755) has the molecular formula C9H17O4P and a molecular weight of 220.20 g/mol. Its IUPAC name is ethyl-[3-(2-methylprop-2-enoyloxy)propyl]phosphinic acid.

Molecular Properties

Compound Nameethyl-[3-(2-methylprop-2-enoyloxy)propyl]phosphinic acid
PubChem CID139789755
Molecular FormulaC9H17O4P
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Nameethyl-[3-(2-methylprop-2-enoyloxy)propyl]phosphinic acid
SMILESC=C(C)C(=O)OCCCP(=O)(O)CC
InChIInChI=1S/C9H17O4P/c1-4-14(11,12)7-5-6-13-9(10)8(2)3/h2,4-7H2,1,3H3,(H,11,12)
InChIKeyFTOAXOXCUVRPPV-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'}

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Related Compounds

bis[4-(2-methylprop-2-enoyloxy)butyl]phosphinic acid
CID 87234792
dodecyl-[6-(2-methylprop-2-enoyloxy)hexyl]phosphinic acid
CID 139843857
4-(2-methylprop-2-enoyloxy)butyl-octadecylphosphinic acid
CID 139843904
dodecyl-[5-(2-methylprop-2-enoyloxy)pentyl]phosphinic acid
CID 139843900
dodecyl-[8-(2-methylprop-2-enoyloxy)octyl]phosphinic acid
CID 139843858
3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid
CID 87531056
methyl-[4-(2-methylprop-2-enoyloxy)butyl]phosphinic acid
CID 139843889
methyl-[2-(2-methylprop-2-enoyloxy)ethyl]phosphinic acid
CID 130373144
ethylphosphonic acid;2-hydroxyethyl 2-methylprop-2-enoate
CID 174621841
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
methyl-[10-(2-methylprop-2-enoyloxy)decoxy]phosphinic acid
CID 164973932
butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670

Frequently Asked Questions

What is the IUPAC name of ethyl-[3-(2-methylprop-2-enoyloxy)propyl]phosphinic acid?
The IUPAC name of ethyl-[3-(2-methylprop-2-enoyloxy)propyl]phosphinic acid (CID 139789755) is ethyl-[3-(2-methylprop-2-enoyloxy)propyl]phosphinic acid.
What is the SMILES notation for ethyl-[3-(2-methylprop-2-enoyloxy)propyl]phosphinic acid?
The canonical SMILES for ethyl-[3-(2-methylprop-2-enoyloxy)propyl]phosphinic acid is C=C(C)C(=O)OCCCP(=O)(O)CC.
What is the InChIKey of ethyl-[3-(2-methylprop-2-enoyloxy)propyl]phosphinic acid?
The InChIKey is FTOAXOXCUVRPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O4P/c1-4-14(11,12)7-5-6-13-9(10)8(2)3/h2,4-7H2,1,3H3,(H,11,12).
What are the key properties of ethyl-[3-(2-methylprop-2-enoyloxy)propyl]phosphinic acid?
ethyl-[3-(2-methylprop-2-enoyloxy)propyl]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 ethyl-[3-(2-methylprop-2-enoyloxy)propyl]phosphinic acid is sourced from PubChem (CID 139789755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).