2-[dodecyl(hydroxy)phosphoryl]acetic acid

C14H29O4P — CID 56691297

IUPAC2-[dodecyl(hydroxy)phosphoryl]acetic acid
SMILESCCCCCCCCCCCCP(=O)(O)CC(=O)O
InChIInChI=1S/C14H29O4P/c1-2-3-4-5-6-7-8-9-10-11-12-19(17,18)13-14(15)16/h2-13H2,1H3,(H,15,16)(H,17,18)
InChIKeyDZHJYHSGNOFCIY-UHFFFAOYSA-N
MW292.36 g/mol
LogP4.26
Rot. Bonds13

About 2-[dodecyl(hydroxy)phosphoryl]acetic acid

2-[dodecyl(hydroxy)phosphoryl]acetic acid (PubChem CID 56691297) has the molecular formula C14H29O4P and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[dodecyl(hydroxy)phosphoryl]acetic acid.

Molecular Properties

Compound Name2-[dodecyl(hydroxy)phosphoryl]acetic acid
PubChem CID56691297
Molecular FormulaC14H29O4P
Molecular Weight292.36 g/mol
Exact Mass292.18
IUPAC Name2-[dodecyl(hydroxy)phosphoryl]acetic acid
SMILESCCCCCCCCCCCCP(=O)(O)CC(=O)O
InChIInChI=1S/C14H29O4P/c1-2-3-4-5-6-7-8-9-10-11-12-19(17,18)13-14(15)16/h2-13H2,1H3,(H,15,16)(H,17,18)
InChIKeyDZHJYHSGNOFCIY-UHFFFAOYSA-N
XLogP4.26
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[dodecyl(hydroxy)phosphoryl]propanoic acid
CID 19011094
didodecylphosphinic acid;nickel
CID 87135872
didecylphosphinic acid;nickel
CID 87135973
dioctadecylphosphinic acid;nickel
CID 87136046
dihexylphosphinic acid;hexyl(propyl)phosphinic acid
CID 122574606
dodecyl-(2-ethoxy-2-oxoethyl)phosphinic acid
CID 44606055
(2-amino-2-hydroxyiminoethyl)-nonylphosphinic acid
CID 167433591
hexylphosphonic acid;octylphosphonic acid
CID 155346901
1-didodecylphosphoryldodecane
CID 12543829
1-dihexylphosphorylhexane;1-dioctylphosphoryloctane
CID 121237547
octadecanoic acid;phosphoric acid
CID 160712069
dodecane;phosphoric acid
CID 88801558

Frequently Asked Questions

What is the IUPAC name of 2-[dodecyl(hydroxy)phosphoryl]acetic acid?
The IUPAC name of 2-[dodecyl(hydroxy)phosphoryl]acetic acid (CID 56691297) is 2-[dodecyl(hydroxy)phosphoryl]acetic acid.
What is the SMILES notation for 2-[dodecyl(hydroxy)phosphoryl]acetic acid?
The canonical SMILES for 2-[dodecyl(hydroxy)phosphoryl]acetic acid is CCCCCCCCCCCCP(=O)(O)CC(=O)O.
What is the InChIKey of 2-[dodecyl(hydroxy)phosphoryl]acetic acid?
The InChIKey is DZHJYHSGNOFCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29O4P/c1-2-3-4-5-6-7-8-9-10-11-12-19(17,18)13-14(15)16/h2-13H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[dodecyl(hydroxy)phosphoryl]acetic acid?
2-[dodecyl(hydroxy)phosphoryl]acetic acid has a molecular weight of 292.36 g/mol, XLogP of 4.26, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dodecyl(hydroxy)phosphoryl]acetic acid is sourced from PubChem (CID 56691297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).