tris(2-nonylphenol);phosphite

C45H72O6P-3 — CID 21116114

IUPACtris(2-nonylphenol);phosphite
SMILESCCCCCCCCCc1ccccc1O.CCCCCCCCCc1ccccc1O.CCCCCCCCCc1ccccc1O.[O-]P([O-])[O-]
InChIInChI=1S/3C15H24O.O3P/c3*1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;1-4(2)3/h3*9-10,12-13,16H,2-8,11H2,1H3;/q;;;-3
InChIKeyKCOLZUYESPZLNP-UHFFFAOYSA-N
MW740.04 g/mol
LogP11.35
Rot. Bonds24

About tris(2-nonylphenol);phosphite

tris(2-nonylphenol);phosphite (PubChem CID 21116114) has the molecular formula C45H72O6P-3 and a molecular weight of 740.04 g/mol. Its IUPAC name is tris(2-nonylphenol);phosphite.

Molecular Properties

Compound Nametris(2-nonylphenol);phosphite
PubChem CID21116114
Molecular FormulaC45H72O6P-3
Molecular Weight740.04 g/mol
Exact Mass739.51
IUPAC Nametris(2-nonylphenol);phosphite
SMILESCCCCCCCCCc1ccccc1O.CCCCCCCCCc1ccccc1O.CCCCCCCCCc1ccccc1O.[O-]P([O-])[O-]
InChIInChI=1S/3C15H24O.O3P/c3*1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;1-4(2)3/h3*9-10,12-13,16H,2-8,11H2,1H3;/q;;;-3
InChIKeyKCOLZUYESPZLNP-UHFFFAOYSA-N
XLogP11.35
TPSA129.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.04
LogP ≤ 511.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-dodecylphenol
CID 160834917
CID 158595082
CID 158595082
2-octylphenol;tungsten
CID 157237523
CID 69025009
CID 69025009
lithium;2-dodecylphenol;hydride
CID 174657819
ethene;2-nonylphenol
CID 66616289
disodium;hydride;2-nonylphenol
CID 175531956
2-decylphenol;hydrazine
CID 159983030
formaldehyde;2-octadecylphenol
CID 67830879
formaldehyde;2-nonylphenol;2-octylphenol
CID 175344349
carbonic acid;bis(2-nonylphenol)
CID 69221300
2-nonylphenol;pentan-1-ol
CID 70367302

Frequently Asked Questions

What is the IUPAC name of tris(2-nonylphenol);phosphite?
The IUPAC name of tris(2-nonylphenol);phosphite (CID 21116114) is tris(2-nonylphenol);phosphite.
What is the SMILES notation for tris(2-nonylphenol);phosphite?
The canonical SMILES for tris(2-nonylphenol);phosphite is CCCCCCCCCc1ccccc1O.CCCCCCCCCc1ccccc1O.CCCCCCCCCc1ccccc1O.[O-]P([O-])[O-].
What is the InChIKey of tris(2-nonylphenol);phosphite?
The InChIKey is KCOLZUYESPZLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H24O.O3P/c3*1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;1-4(2)3/h3*9-10,12-13,16H,2-8,11H2,1H3;/q;;;-3.
What are the key properties of tris(2-nonylphenol);phosphite?
tris(2-nonylphenol);phosphite has a molecular weight of 740.04 g/mol, XLogP of 11.35, 24 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-nonylphenol);phosphite is sourced from PubChem (CID 21116114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).