dodecyl-[5-(2-methylprop-2-enoyloxy)pentyl]phosphinic acid

C21H41O4P — CID 139843900

IUPACdodecyl-[5-(2-methylprop-2-enoyloxy)pentyl]phosphinic acid
SMILESC=C(C)C(=O)OCCCCCP(=O)(O)CCCCCCCCCCCC
InChIInChI=1S/C21H41O4P/c1-4-5-6-7-8-9-10-11-12-15-18-26(23,24)19-16-13-14-17-25-21(22)20(2)3/h2,4-19H2,1,3H3,(H,23,24)
InChIKeyDXITXLOURIWXQE-UHFFFAOYSA-N
MW388.53 g/mol
LogP6.47
Rot. Bonds18

About dodecyl-[5-(2-methylprop-2-enoyloxy)pentyl]phosphinic acid

dodecyl-[5-(2-methylprop-2-enoyloxy)pentyl]phosphinic acid (PubChem CID 139843900) has the molecular formula C21H41O4P and a molecular weight of 388.53 g/mol. Its IUPAC name is dodecyl-[5-(2-methylprop-2-enoyloxy)pentyl]phosphinic acid.

Molecular Properties

Compound Namedodecyl-[5-(2-methylprop-2-enoyloxy)pentyl]phosphinic acid
PubChem CID139843900
Molecular FormulaC21H41O4P
Molecular Weight388.53 g/mol
Exact Mass388.27
IUPAC Namedodecyl-[5-(2-methylprop-2-enoyloxy)pentyl]phosphinic acid
SMILESC=C(C)C(=O)OCCCCCP(=O)(O)CCCCCCCCCCCC
InChIInChI=1S/C21H41O4P/c1-4-5-6-7-8-9-10-11-12-15-18-26(23,24)19-16-13-14-17-25-21(22)20(2)3/h2,4-19H2,1,3H3,(H,23,24)
InChIKeyDXITXLOURIWXQE-UHFFFAOYSA-N
XLogP6.47
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.53
LogP ≤ 56.47
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-[8-(2-methylprop-2-enoyloxy)octyl]phosphinic acid
CID 139843858
bis[4-(2-methylprop-2-enoyloxy)butyl]phosphinic acid
CID 87234792
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
dodecyl(2-methylprop-2-enoyloxymethyl)phosphinic acid
CID 139843859
methane;nonyl 2-methylprop-2-enoate
CID 174847930
methane;tridecyl 2-methylprop-2-enoate
CID 174863529
butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate
CID 19882000

Frequently Asked Questions

What is the IUPAC name of dodecyl-[5-(2-methylprop-2-enoyloxy)pentyl]phosphinic acid?
The IUPAC name of dodecyl-[5-(2-methylprop-2-enoyloxy)pentyl]phosphinic acid (CID 139843900) is dodecyl-[5-(2-methylprop-2-enoyloxy)pentyl]phosphinic acid.
What is the SMILES notation for dodecyl-[5-(2-methylprop-2-enoyloxy)pentyl]phosphinic acid?
The canonical SMILES for dodecyl-[5-(2-methylprop-2-enoyloxy)pentyl]phosphinic acid is C=C(C)C(=O)OCCCCCP(=O)(O)CCCCCCCCCCCC.
What is the InChIKey of dodecyl-[5-(2-methylprop-2-enoyloxy)pentyl]phosphinic acid?
The InChIKey is DXITXLOURIWXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41O4P/c1-4-5-6-7-8-9-10-11-12-15-18-26(23,24)19-16-13-14-17-25-21(22)20(2)3/h2,4-19H2,1,3H3,(H,23,24).
What are the key properties of dodecyl-[5-(2-methylprop-2-enoyloxy)pentyl]phosphinic acid?
dodecyl-[5-(2-methylprop-2-enoyloxy)pentyl]phosphinic acid has a molecular weight of 388.53 g/mol, XLogP of 6.47, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-[5-(2-methylprop-2-enoyloxy)pentyl]phosphinic acid is sourced from PubChem (CID 139843900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).