2-[hexacosyl(2-hydroxyethyl)phosphoryl]ethanol

C30H63O3P — CID 172735074

IUPAC2-[hexacosyl(2-hydroxyethyl)phosphoryl]ethanol
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCP(=O)(CCO)CCO
InChIInChI=1S/C30H63O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28-34(33,29-26-31)30-27-32/h31-32H,2-30H2,1H3
InChIKeyIHZUZNSTSYDPSD-UHFFFAOYSA-N
MW502.81 g/mol
LogP9.72
Rot. Bonds29

About 2-[hexacosyl(2-hydroxyethyl)phosphoryl]ethanol

2-[hexacosyl(2-hydroxyethyl)phosphoryl]ethanol (PubChem CID 172735074) has the molecular formula C30H63O3P and a molecular weight of 502.81 g/mol. Its IUPAC name is 2-[hexacosyl(2-hydroxyethyl)phosphoryl]ethanol.

Molecular Properties

Compound Name2-[hexacosyl(2-hydroxyethyl)phosphoryl]ethanol
PubChem CID172735074
Molecular FormulaC30H63O3P
Molecular Weight502.81 g/mol
Exact Mass502.45
IUPAC Name2-[hexacosyl(2-hydroxyethyl)phosphoryl]ethanol
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCP(=O)(CCO)CCO
InChIInChI=1S/C30H63O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28-34(33,29-26-31)30-27-32/h31-32H,2-30H2,1H3
InChIKeyIHZUZNSTSYDPSD-UHFFFAOYSA-N
XLogP9.72
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds29
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.81
LogP ≤ 59.72
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

3-[dodecyl(3-hydroxypropyl)phosphoryl]propan-1-ol
CID 89306365
8-[hexyl(octyl)phosphoryl]octan-1-ol
CID 139594287
1-didodecylphosphoryldodecane
CID 12543829
1-dihexylphosphorylhexane;1-dioctylphosphoryloctane
CID 121237547
didodecylphosphinic acid;nickel
CID 87135872
didecylphosphinic acid;nickel
CID 87135973
dioctadecylphosphinic acid;nickel
CID 87136046
CID 172720905
CID 172720905
dihexylphosphinic acid;hexyl(propyl)phosphinic acid
CID 122574606
butyl(2-hydroxyethyl)phosphinic acid
CID 87233440
heptadecan-1-ol;phosphoric acid
CID 174616506
dibutylphosphorylmethanol
CID 5219006

Frequently Asked Questions

What is the IUPAC name of 2-[hexacosyl(2-hydroxyethyl)phosphoryl]ethanol?
The IUPAC name of 2-[hexacosyl(2-hydroxyethyl)phosphoryl]ethanol (CID 172735074) is 2-[hexacosyl(2-hydroxyethyl)phosphoryl]ethanol.
What is the SMILES notation for 2-[hexacosyl(2-hydroxyethyl)phosphoryl]ethanol?
The canonical SMILES for 2-[hexacosyl(2-hydroxyethyl)phosphoryl]ethanol is CCCCCCCCCCCCCCCCCCCCCCCCCCP(=O)(CCO)CCO.
What is the InChIKey of 2-[hexacosyl(2-hydroxyethyl)phosphoryl]ethanol?
The InChIKey is IHZUZNSTSYDPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H63O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28-34(33,29-26-31)30-27-32/h31-32H,2-30H2,1H3.
What are the key properties of 2-[hexacosyl(2-hydroxyethyl)phosphoryl]ethanol?
2-[hexacosyl(2-hydroxyethyl)phosphoryl]ethanol has a molecular weight of 502.81 g/mol, XLogP of 9.72, 29 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hexacosyl(2-hydroxyethyl)phosphoryl]ethanol is sourced from PubChem (CID 172735074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).