3-[dodecyl(hydroxy)phosphoryl]propanoic acid

C15H31O4P — CID 19011094

IUPAC3-[dodecyl(hydroxy)phosphoryl]propanoic acid
SMILESCCCCCCCCCCCCP(=O)(O)CCC(=O)O
InChIInChI=1S/C15H31O4P/c1-2-3-4-5-6-7-8-9-10-11-13-20(18,19)14-12-15(16)17/h2-14H2,1H3,(H,16,17)(H,18,19)
InChIKeyMVDOYLSREALBQI-UHFFFAOYSA-N
MW306.38 g/mol
LogP4.65
Rot. Bonds14

About 3-[dodecyl(hydroxy)phosphoryl]propanoic acid

3-[dodecyl(hydroxy)phosphoryl]propanoic acid (PubChem CID 19011094) has the molecular formula C15H31O4P and a molecular weight of 306.38 g/mol. Its IUPAC name is 3-[dodecyl(hydroxy)phosphoryl]propanoic acid.

Molecular Properties

Compound Name3-[dodecyl(hydroxy)phosphoryl]propanoic acid
PubChem CID19011094
Molecular FormulaC15H31O4P
Molecular Weight306.38 g/mol
Exact Mass306.20
IUPAC Name3-[dodecyl(hydroxy)phosphoryl]propanoic acid
SMILESCCCCCCCCCCCCP(=O)(O)CCC(=O)O
InChIInChI=1S/C15H31O4P/c1-2-3-4-5-6-7-8-9-10-11-13-20(18,19)14-12-15(16)17/h2-14H2,1H3,(H,16,17)(H,18,19)
InChIKeyMVDOYLSREALBQI-UHFFFAOYSA-N
XLogP4.65
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 54.65
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

didodecylphosphinic acid;nickel
CID 87135872
didecylphosphinic acid;nickel
CID 87135973
2-[dodecyl(hydroxy)phosphoryl]acetic acid
CID 56691297
(3-chloro-3-oxopropyl)-hexylphosphinic acid;hydrochloride
CID 88803274
dihexylphosphinic acid;hexyl(propyl)phosphinic acid
CID 122574606
octadecanoic acid;phosphoric acid
CID 160712069
3-[ethyl(hydroxy)phosphoryl]propanoic acid
CID 19011064
calcium;hexadecanoic acid;hydride;phosphoric acid
CID 175154653
trisodium;hexadecanoic acid;hydride;phosphoric acid
CID 175161401
magnesium;docosanoic acid;hydride;phosphoric acid
CID 174993463
butanoic acid;octakis(hexane)
CID 173316169
butanoic acid;hexane
CID 173374540

Frequently Asked Questions

What is the IUPAC name of 3-[dodecyl(hydroxy)phosphoryl]propanoic acid?
The IUPAC name of 3-[dodecyl(hydroxy)phosphoryl]propanoic acid (CID 19011094) is 3-[dodecyl(hydroxy)phosphoryl]propanoic acid.
What is the SMILES notation for 3-[dodecyl(hydroxy)phosphoryl]propanoic acid?
The canonical SMILES for 3-[dodecyl(hydroxy)phosphoryl]propanoic acid is CCCCCCCCCCCCP(=O)(O)CCC(=O)O.
What is the InChIKey of 3-[dodecyl(hydroxy)phosphoryl]propanoic acid?
The InChIKey is MVDOYLSREALBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31O4P/c1-2-3-4-5-6-7-8-9-10-11-13-20(18,19)14-12-15(16)17/h2-14H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[dodecyl(hydroxy)phosphoryl]propanoic acid?
3-[dodecyl(hydroxy)phosphoryl]propanoic acid has a molecular weight of 306.38 g/mol, XLogP of 4.65, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dodecyl(hydroxy)phosphoryl]propanoic acid is sourced from PubChem (CID 19011094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).