dodecyl(2-methylprop-2-enoyloxymethyl)phosphinic acid

C17H33O4P — CID 139843859

IUPACdodecyl(2-methylprop-2-enoyloxymethyl)phosphinic acid
SMILESC=C(C)C(=O)OCP(=O)(O)CCCCCCCCCCCC
InChIInChI=1S/C17H33O4P/c1-4-5-6-7-8-9-10-11-12-13-14-22(19,20)15-21-17(18)16(2)3/h2,4-15H2,1,3H3,(H,19,20)
InChIKeyUKNIBURFTIFMTC-UHFFFAOYSA-N
MW332.42 g/mol
LogP5.25
Rot. Bonds14

About dodecyl(2-methylprop-2-enoyloxymethyl)phosphinic acid

dodecyl(2-methylprop-2-enoyloxymethyl)phosphinic acid (PubChem CID 139843859) has the molecular formula C17H33O4P and a molecular weight of 332.42 g/mol. Its IUPAC name is dodecyl(2-methylprop-2-enoyloxymethyl)phosphinic acid.

Molecular Properties

Compound Namedodecyl(2-methylprop-2-enoyloxymethyl)phosphinic acid
PubChem CID139843859
Molecular FormulaC17H33O4P
Molecular Weight332.42 g/mol
Exact Mass332.21
IUPAC Namedodecyl(2-methylprop-2-enoyloxymethyl)phosphinic acid
SMILESC=C(C)C(=O)OCP(=O)(O)CCCCCCCCCCCC
InChIInChI=1S/C17H33O4P/c1-4-5-6-7-8-9-10-11-12-13-14-22(19,20)15-21-17(18)16(2)3/h2,4-15H2,1,3H3,(H,19,20)
InChIKeyUKNIBURFTIFMTC-UHFFFAOYSA-N
XLogP5.25
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.42
LogP ≤ 55.25
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

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
bis[4-(2-methylprop-2-enoyloxy)butyl]phosphinic acid
CID 87234792
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190
ethyl-[3-(2-methylprop-2-enoyloxy)propyl]phosphinic acid
CID 139789755
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
methane;nonyl 2-methylprop-2-enoate
CID 174847930

Frequently Asked Questions

What is the IUPAC name of dodecyl(2-methylprop-2-enoyloxymethyl)phosphinic acid?
The IUPAC name of dodecyl(2-methylprop-2-enoyloxymethyl)phosphinic acid (CID 139843859) is dodecyl(2-methylprop-2-enoyloxymethyl)phosphinic acid.
What is the SMILES notation for dodecyl(2-methylprop-2-enoyloxymethyl)phosphinic acid?
The canonical SMILES for dodecyl(2-methylprop-2-enoyloxymethyl)phosphinic acid is C=C(C)C(=O)OCP(=O)(O)CCCCCCCCCCCC.
What is the InChIKey of dodecyl(2-methylprop-2-enoyloxymethyl)phosphinic acid?
The InChIKey is UKNIBURFTIFMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33O4P/c1-4-5-6-7-8-9-10-11-12-13-14-22(19,20)15-21-17(18)16(2)3/h2,4-15H2,1,3H3,(H,19,20).
What are the key properties of dodecyl(2-methylprop-2-enoyloxymethyl)phosphinic acid?
dodecyl(2-methylprop-2-enoyloxymethyl)phosphinic acid has a molecular weight of 332.42 g/mol, XLogP of 5.25, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl(2-methylprop-2-enoyloxymethyl)phosphinic acid is sourced from PubChem (CID 139843859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).