2,2-bis(hydroxymethyl)propane-1,3-diol;dihydroxyphosphanyl dihydrogen phosphite;2-nonylphenol

C20H40O10P2 — CID 159052970

IUPAC2,2-bis(hydroxymethyl)propane-1,3-diol;dihydroxyphosphanyl dihydrogen phosphite;2-nonylphenol
SMILESCCCCCCCCCc1ccccc1O.OCC(CO)(CO)CO.OP(O)OP(O)O
InChIInChI=1S/C15H24O.C5H12O4.H4O5P2/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;6-1-5(2-7,3-8)4-9;1-6(2)5-7(3)4/h9-10,12-13,16H,2-8,11H2,1H3;6-9H,1-4H2;1-4H
InChIKeyJXMUQNHGHPTVTN-UHFFFAOYSA-N
MW502.48 g/mol
LogP2.05
Rot. Bonds14

About 2,2-bis(hydroxymethyl)propane-1,3-diol;dihydroxyphosphanyl dihydrogen phosphite;2-nonylphenol

2,2-bis(hydroxymethyl)propane-1,3-diol;dihydroxyphosphanyl dihydrogen phosphite;2-nonylphenol (PubChem CID 159052970) has the molecular formula C20H40O10P2 and a molecular weight of 502.48 g/mol. Its IUPAC name is 2,2-bis(hydroxymethyl)propane-1,3-diol;dihydroxyphosphanyl dihydrogen phosphite;2-nonylphenol.

Molecular Properties

Compound Name2,2-bis(hydroxymethyl)propane-1,3-diol;dihydroxyphosphanyl dihydrogen phosphite;2-nonylphenol
PubChem CID159052970
Molecular FormulaC20H40O10P2
Molecular Weight502.48 g/mol
Exact Mass502.21
IUPAC Name2,2-bis(hydroxymethyl)propane-1,3-diol;dihydroxyphosphanyl dihydrogen phosphite;2-nonylphenol
SMILESCCCCCCCCCc1ccccc1O.OCC(CO)(CO)CO.OP(O)OP(O)O
InChIInChI=1S/C15H24O.C5H12O4.H4O5P2/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;6-1-5(2-7,3-8)4-9;1-6(2)5-7(3)4/h9-10,12-13,16H,2-8,11H2,1H3;6-9H,1-4H2;1-4H
InChIKeyJXMUQNHGHPTVTN-UHFFFAOYSA-N
XLogP2.05
TPSA191.30 Ų
H-Bond Donors9
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.48
LogP ≤ 52.05
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1010

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
tris(2-nonylphenol);phosphite
CID 21116114
2-nonylphenol;pentan-1-ol
CID 70367302
ethene;2-nonylphenol
CID 66616289
lithium;2-dodecylphenol;hydride
CID 174657819
disodium;hydride;2-nonylphenol
CID 175531956
2-decylphenol;hydrazine
CID 159983030
2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-nonylphenol
CID 158816755
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-nonylphenol
CID 157250181

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(hydroxymethyl)propane-1,3-diol;dihydroxyphosphanyl dihydrogen phosphite;2-nonylphenol?
The IUPAC name of 2,2-bis(hydroxymethyl)propane-1,3-diol;dihydroxyphosphanyl dihydrogen phosphite;2-nonylphenol (CID 159052970) is 2,2-bis(hydroxymethyl)propane-1,3-diol;dihydroxyphosphanyl dihydrogen phosphite;2-nonylphenol.
What is the SMILES notation for 2,2-bis(hydroxymethyl)propane-1,3-diol;dihydroxyphosphanyl dihydrogen phosphite;2-nonylphenol?
The canonical SMILES for 2,2-bis(hydroxymethyl)propane-1,3-diol;dihydroxyphosphanyl dihydrogen phosphite;2-nonylphenol is CCCCCCCCCc1ccccc1O.OCC(CO)(CO)CO.OP(O)OP(O)O.
What is the InChIKey of 2,2-bis(hydroxymethyl)propane-1,3-diol;dihydroxyphosphanyl dihydrogen phosphite;2-nonylphenol?
The InChIKey is JXMUQNHGHPTVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O.C5H12O4.H4O5P2/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;6-1-5(2-7,3-8)4-9;1-6(2)5-7(3)4/h9-10,12-13,16H,2-8,11H2,1H3;6-9H,1-4H2;1-4H.
What are the key properties of 2,2-bis(hydroxymethyl)propane-1,3-diol;dihydroxyphosphanyl dihydrogen phosphite;2-nonylphenol?
2,2-bis(hydroxymethyl)propane-1,3-diol;dihydroxyphosphanyl dihydrogen phosphite;2-nonylphenol has a molecular weight of 502.48 g/mol, XLogP of 2.05, 14 rotatable bonds, 9 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(hydroxymethyl)propane-1,3-diol;dihydroxyphosphanyl dihydrogen phosphite;2-nonylphenol is sourced from PubChem (CID 159052970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).