octyl bis(4-octylphenyl) phosphite

C36H59O3P — CID 57093552

IUPACoctyl bis(4-octylphenyl) phosphite
SMILESCCCCCCCCOP(Oc1ccc(CCCCCCCC)cc1)Oc1ccc(CCCCCCCC)cc1
InChIInChI=1S/C36H59O3P/c1-4-7-10-13-16-19-22-33-24-28-35(29-25-33)38-40(37-32-21-18-15-12-9-6-3)39-36-30-26-34(27-31-36)23-20-17-14-11-8-5-2/h24-31H,4-23,32H2,1-3H3
InChIKeyPETSXCQQNMIEJG-UHFFFAOYSA-N
MW570.84 g/mol
LogP12.55
Rot. Bonds26

About octyl bis(4-octylphenyl) phosphite

octyl bis(4-octylphenyl) phosphite (PubChem CID 57093552) has the molecular formula C36H59O3P and a molecular weight of 570.84 g/mol. Its IUPAC name is octyl bis(4-octylphenyl) phosphite.

Molecular Properties

Compound Nameoctyl bis(4-octylphenyl) phosphite
PubChem CID57093552
Molecular FormulaC36H59O3P
Molecular Weight570.84 g/mol
Exact Mass570.42
IUPAC Nameoctyl bis(4-octylphenyl) phosphite
SMILESCCCCCCCCOP(Oc1ccc(CCCCCCCC)cc1)Oc1ccc(CCCCCCCC)cc1
InChIInChI=1S/C36H59O3P/c1-4-7-10-13-16-19-22-33-24-28-35(29-25-33)38-40(37-32-21-18-15-12-9-6-3)39-36-30-26-34(27-31-36)23-20-17-14-11-8-5-2/h24-31H,4-23,32H2,1-3H3
InChIKeyPETSXCQQNMIEJG-UHFFFAOYSA-N
XLogP12.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.84
LogP ≤ 512.55
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

bis(4-dodecylphenyl) phenyl phosphite
CID 154294931
1-hexoxy-4-pentylbenzene
CID 54277450
diphenyl 11-undecoxyundecyl phosphite
CID 101311931
diphenyl 13-tridecoxytridecyl phosphite
CID 101311954
(4-tert-butylphenyl) didodecyl phosphite
CID 59608946
[2,6-di(nonyl)phenyl] bis(4-nonylphenyl) phosphite
CID 101311969
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
1-methoxy-4-(5-pentoxypentyl)benzene
CID 54554044
1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527
[4-[3-[4-bis(4-octylphenoxy)phosphanyloxy-5-tert-butyl-2-methylphenyl]-1-[5-tert-butyl-4-di(nonoxy)phosphanyloxy-2-methylphenyl]butyl]-2-tert-butyl-5-methylphenyl] nonyl (4-octylphenyl) phosphite
CID 101327372
1-(2-icosoxyethoxy)-4-nonylbenzene
CID 175309903
4-(4-heptylphenoxy)butan-1-amine
CID 164576429

Frequently Asked Questions

What is the IUPAC name of octyl bis(4-octylphenyl) phosphite?
The IUPAC name of octyl bis(4-octylphenyl) phosphite (CID 57093552) is octyl bis(4-octylphenyl) phosphite.
What is the SMILES notation for octyl bis(4-octylphenyl) phosphite?
The canonical SMILES for octyl bis(4-octylphenyl) phosphite is CCCCCCCCOP(Oc1ccc(CCCCCCCC)cc1)Oc1ccc(CCCCCCCC)cc1.
What is the InChIKey of octyl bis(4-octylphenyl) phosphite?
The InChIKey is PETSXCQQNMIEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H59O3P/c1-4-7-10-13-16-19-22-33-24-28-35(29-25-33)38-40(37-32-21-18-15-12-9-6-3)39-36-30-26-34(27-31-36)23-20-17-14-11-8-5-2/h24-31H,4-23,32H2,1-3H3.
What are the key properties of octyl bis(4-octylphenyl) phosphite?
octyl bis(4-octylphenyl) phosphite has a molecular weight of 570.84 g/mol, XLogP of 12.55, 26 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octyl bis(4-octylphenyl) phosphite is sourced from PubChem (CID 57093552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).