di(tridecoxy)phosphorylbenzene

C32H59O3P — CID 87531060

IUPACdi(tridecoxy)phosphorylbenzene
SMILESCCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCCC)c1ccccc1
InChIInChI=1S/C32H59O3P/c1-3-5-7-9-11-13-15-17-19-21-26-30-34-36(33,32-28-24-23-25-29-32)35-31-27-22-20-18-16-14-12-10-8-6-4-2/h23-25,28-29H,3-22,26-27,30-31H2,1-2H3
InChIKeyUNZXJASBZKMNEC-UHFFFAOYSA-N
MW522.80 g/mol
LogP11.16
Rot. Bonds27

About di(tridecoxy)phosphorylbenzene

di(tridecoxy)phosphorylbenzene (PubChem CID 87531060) has the molecular formula C32H59O3P and a molecular weight of 522.80 g/mol. Its IUPAC name is di(tridecoxy)phosphorylbenzene.

Molecular Properties

Compound Namedi(tridecoxy)phosphorylbenzene
PubChem CID87531060
Molecular FormulaC32H59O3P
Molecular Weight522.80 g/mol
Exact Mass522.42
IUPAC Namedi(tridecoxy)phosphorylbenzene
SMILESCCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCCC)c1ccccc1
InChIInChI=1S/C32H59O3P/c1-3-5-7-9-11-13-15-17-19-21-26-30-34-36(33,32-28-24-23-25-29-32)35-31-27-22-20-18-16-14-12-10-8-6-4-2/h23-25,28-29H,3-22,26-27,30-31H2,1-2H3
InChIKeyUNZXJASBZKMNEC-UHFFFAOYSA-N
XLogP11.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds27
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.80
LogP ≤ 511.16
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

[2-methylpropoxy(tridecoxy)phosphoryl]benzene
CID 91723456
dipropoxyphosphorylbenzene
CID 11736632
[decoxy(phenyl)phosphoryl]benzene
CID 135066173
4-di(tetradecoxy)phosphoryl-1-methylpyridin-1-ium
CID 25105250
neodymium(3+);tris([(Z)-octadec-9-enoxy]-phenylphosphinate)
CID 175578267
hexoxy-diphenyl-sulfanylidene-λ5-phosphane
CID 134935003
3-[3-hydroxypropoxy(phenyl)phosphoryl]oxypropan-1-ol
CID 134483895
1-butan-2-yl-4-didodecoxyphosphorylbenzene
CID 166057617
hexyl diphenyl phosphate
CID 13389453
heptyl pentyl phenyl phosphate
CID 21454681
[(Z)-octadec-9-enoxy]-phenylphosphinic acid
CID 175578268
[butoxy(fluoro)phosphoryl]benzene
CID 23235617

Frequently Asked Questions

What is the IUPAC name of di(tridecoxy)phosphorylbenzene?
The IUPAC name of di(tridecoxy)phosphorylbenzene (CID 87531060) is di(tridecoxy)phosphorylbenzene.
What is the SMILES notation for di(tridecoxy)phosphorylbenzene?
The canonical SMILES for di(tridecoxy)phosphorylbenzene is CCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCCC)c1ccccc1.
What is the InChIKey of di(tridecoxy)phosphorylbenzene?
The InChIKey is UNZXJASBZKMNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H59O3P/c1-3-5-7-9-11-13-15-17-19-21-26-30-34-36(33,32-28-24-23-25-29-32)35-31-27-22-20-18-16-14-12-10-8-6-4-2/h23-25,28-29H,3-22,26-27,30-31H2,1-2H3.
What are the key properties of di(tridecoxy)phosphorylbenzene?
di(tridecoxy)phosphorylbenzene has a molecular weight of 522.80 g/mol, XLogP of 11.16, 27 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for di(tridecoxy)phosphorylbenzene is sourced from PubChem (CID 87531060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).