[octadecyl(pentadecoxy)phosphoryl] hypofluorite

C33H68FO3P — CID 154926633

IUPAC[octadecyl(pentadecoxy)phosphoryl] hypofluorite
SMILESCCCCCCCCCCCCCCCCCCP(=O)(OF)OCCCCCCCCCCCCCCC
InChIInChI=1S/C33H68FO3P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-38(35,37-34)36-32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h3-33H2,1-2H3
InChIKeyGLUKBWXGGFNSJG-UHFFFAOYSA-N
MW562.88 g/mol
LogP13.45
Rot. Bonds33

About [octadecyl(pentadecoxy)phosphoryl] hypofluorite

[octadecyl(pentadecoxy)phosphoryl] hypofluorite (PubChem CID 154926633) has the molecular formula C33H68FO3P and a molecular weight of 562.88 g/mol. Its IUPAC name is [octadecyl(pentadecoxy)phosphoryl] hypofluorite.

Molecular Properties

Compound Name[octadecyl(pentadecoxy)phosphoryl] hypofluorite
PubChem CID154926633
Molecular FormulaC33H68FO3P
Molecular Weight562.88 g/mol
Exact Mass562.49
IUPAC Name[octadecyl(pentadecoxy)phosphoryl] hypofluorite
SMILESCCCCCCCCCCCCCCCCCCP(=O)(OF)OCCCCCCCCCCCCCCC
InChIInChI=1S/C33H68FO3P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-38(35,37-34)36-32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h3-33H2,1-2H3
InChIKeyGLUKBWXGGFNSJG-UHFFFAOYSA-N
XLogP13.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds33
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.88
LogP ≤ 513.45
H-Bond Donors ≤ 50
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

1-dioctoxyphosphoryldecane
CID 141369437
1-didecoxyphosphoryltetradecane
CID 151616748
1-dihexoxyphosphoryltetradecane
CID 151638840
1-diheptoxyphosphoryloctadecane
CID 153322672
1-dibutoxyphosphoryloctacosane
CID 141204672
1-[butyl(hexoxy)phosphoryl]oxyoctadecane
CID 91716589
1-[butyl(pentoxy)phosphoryl]oxypentadecane
CID 91716553
1-[butyl(hexoxy)phosphoryl]oxyhexadecane
CID 91716578
1-[decyl(methoxy)phosphoryl]oxydecane
CID 174626328
1-[butoxy(butyl)phosphoryl]oxyheptane
CID 88847148
1-[dodecoxy(ethyl)phosphoryl]oxydodecane
CID 154323164
1-[ethyl(octoxy)phosphoryl]oxyoctane
CID 574233

Frequently Asked Questions

What is the IUPAC name of [octadecyl(pentadecoxy)phosphoryl] hypofluorite?
The IUPAC name of [octadecyl(pentadecoxy)phosphoryl] hypofluorite (CID 154926633) is [octadecyl(pentadecoxy)phosphoryl] hypofluorite.
What is the SMILES notation for [octadecyl(pentadecoxy)phosphoryl] hypofluorite?
The canonical SMILES for [octadecyl(pentadecoxy)phosphoryl] hypofluorite is CCCCCCCCCCCCCCCCCCP(=O)(OF)OCCCCCCCCCCCCCCC.
What is the InChIKey of [octadecyl(pentadecoxy)phosphoryl] hypofluorite?
The InChIKey is GLUKBWXGGFNSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H68FO3P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-38(35,37-34)36-32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h3-33H2,1-2H3.
What are the key properties of [octadecyl(pentadecoxy)phosphoryl] hypofluorite?
[octadecyl(pentadecoxy)phosphoryl] hypofluorite has a molecular weight of 562.88 g/mol, XLogP of 13.45, 33 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [octadecyl(pentadecoxy)phosphoryl] hypofluorite is sourced from PubChem (CID 154926633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).