3-[dodecyl(3-hydroxypropyl)phosphoryl]propan-1-ol

C18H39O3P — CID 89306365

IUPAC3-[dodecyl(3-hydroxypropyl)phosphoryl]propan-1-ol
SMILESCCCCCCCCCCCCP(=O)(CCCO)CCCO
InChIInChI=1S/C18H39O3P/c1-2-3-4-5-6-7-8-9-10-11-16-22(21,17-12-14-19)18-13-15-20/h19-20H,2-18H2,1H3
InChIKeyUYBGPALKZBBZHO-UHFFFAOYSA-N
MW334.48 g/mol
LogP5.04
Rot. Bonds17

About 3-[dodecyl(3-hydroxypropyl)phosphoryl]propan-1-ol

3-[dodecyl(3-hydroxypropyl)phosphoryl]propan-1-ol (PubChem CID 89306365) has the molecular formula C18H39O3P and a molecular weight of 334.48 g/mol. Its IUPAC name is 3-[dodecyl(3-hydroxypropyl)phosphoryl]propan-1-ol.

Molecular Properties

Compound Name3-[dodecyl(3-hydroxypropyl)phosphoryl]propan-1-ol
PubChem CID89306365
Molecular FormulaC18H39O3P
Molecular Weight334.48 g/mol
Exact Mass334.26
IUPAC Name3-[dodecyl(3-hydroxypropyl)phosphoryl]propan-1-ol
SMILESCCCCCCCCCCCCP(=O)(CCCO)CCCO
InChIInChI=1S/C18H39O3P/c1-2-3-4-5-6-7-8-9-10-11-16-22(21,17-12-14-19)18-13-15-20/h19-20H,2-18H2,1H3
InChIKeyUYBGPALKZBBZHO-UHFFFAOYSA-N
XLogP5.04
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.48
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

8-[hexyl(octyl)phosphoryl]octan-1-ol
CID 139594287
2-[hexacosyl(2-hydroxyethyl)phosphoryl]ethanol
CID 172735074
1-didodecylphosphoryldodecane
CID 12543829
1-dihexylphosphorylhexane;1-dioctylphosphoryloctane
CID 121237547
heptadecan-1-ol;phosphoric acid
CID 174616506
octadecan-1-ol;phosphoric acid;zinc
CID 175122102
trisodium;octadecan-1-ol;phosphate
CID 173304985
didodecylphosphinic acid;nickel
CID 87135872
phosphoric acid;silane;tridecan-1-ol
CID 174860606
didecylphosphinic acid;nickel
CID 87135973
dioctadecylphosphinic acid;nickel
CID 87136046
CID 172720905
CID 172720905

Frequently Asked Questions

What is the IUPAC name of 3-[dodecyl(3-hydroxypropyl)phosphoryl]propan-1-ol?
The IUPAC name of 3-[dodecyl(3-hydroxypropyl)phosphoryl]propan-1-ol (CID 89306365) is 3-[dodecyl(3-hydroxypropyl)phosphoryl]propan-1-ol.
What is the SMILES notation for 3-[dodecyl(3-hydroxypropyl)phosphoryl]propan-1-ol?
The canonical SMILES for 3-[dodecyl(3-hydroxypropyl)phosphoryl]propan-1-ol is CCCCCCCCCCCCP(=O)(CCCO)CCCO.
What is the InChIKey of 3-[dodecyl(3-hydroxypropyl)phosphoryl]propan-1-ol?
The InChIKey is UYBGPALKZBBZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39O3P/c1-2-3-4-5-6-7-8-9-10-11-16-22(21,17-12-14-19)18-13-15-20/h19-20H,2-18H2,1H3.
What are the key properties of 3-[dodecyl(3-hydroxypropyl)phosphoryl]propan-1-ol?
3-[dodecyl(3-hydroxypropyl)phosphoryl]propan-1-ol has a molecular weight of 334.48 g/mol, XLogP of 5.04, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dodecyl(3-hydroxypropyl)phosphoryl]propan-1-ol is sourced from PubChem (CID 89306365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).