bis(3-dodecoxy-2-hydroxypropyl) phenyl phosphite

C36H67O7P — CID 54054497

IUPACbis(3-dodecoxy-2-hydroxypropyl) phenyl phosphite
SMILESCCCCCCCCCCCCOCC(O)COP(OCC(O)COCCCCCCCCCCCC)Oc1ccccc1
InChIInChI=1S/C36H67O7P/c1-3-5-7-9-11-13-15-17-19-24-28-39-30-34(37)32-41-44(43-36-26-22-21-23-27-36)42-33-35(38)31-40-29-25-20-18-16-14-12-10-8-6-4-2/h21-23,26-27,34-35,37-38H,3-20,24-25,28-33H2,1-2H3
InChIKeyLVHLIHOZYDBKOQ-UHFFFAOYSA-N
MW642.90 g/mol
LogP9.92
Rot. Bonds34

About bis(3-dodecoxy-2-hydroxypropyl) phenyl phosphite

bis(3-dodecoxy-2-hydroxypropyl) phenyl phosphite (PubChem CID 54054497) has the molecular formula C36H67O7P and a molecular weight of 642.90 g/mol. Its IUPAC name is bis(3-dodecoxy-2-hydroxypropyl) phenyl phosphite.

Molecular Properties

Compound Namebis(3-dodecoxy-2-hydroxypropyl) phenyl phosphite
PubChem CID54054497
Molecular FormulaC36H67O7P
Molecular Weight642.90 g/mol
Exact Mass642.46
IUPAC Namebis(3-dodecoxy-2-hydroxypropyl) phenyl phosphite
SMILESCCCCCCCCCCCCOCC(O)COP(OCC(O)COCCCCCCCCCCCC)Oc1ccccc1
InChIInChI=1S/C36H67O7P/c1-3-5-7-9-11-13-15-17-19-24-28-39-30-34(37)32-41-44(43-36-26-22-21-23-27-36)42-33-35(38)31-40-29-25-20-18-16-14-12-10-8-6-4-2/h21-23,26-27,34-35,37-38H,3-20,24-25,28-33H2,1-2H3
InChIKeyLVHLIHOZYDBKOQ-UHFFFAOYSA-N
XLogP9.92
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds34
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.90
LogP ≤ 59.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

diphenyl 11-undecoxyundecyl phosphite
CID 101311931
diphenyl 13-tridecoxytridecyl phosphite
CID 101311954
bis(2-decoxydecyl) phenyl phosphite
CID 101311866
phenyl bis(2-undecoxyundecyl) phosphite
CID 101311877
(2R)-1-butoxy-3-phenoxypropan-2-ol
CID 36688222
diphenyl 2-undecoxyundecyl phosphite
CID 101311940
(2R)-1-icosoxy-3-trityloxypropan-2-ol
CID 67327008
(2R)-1-octoxy-3-trityloxypropan-2-ol
CID 67230477
1-tetradecoxy-3-trityloxypropan-2-ol
CID 12896847
1-hexadecoxy-3-(2-hydroxyethoxy)propan-2-ol
CID 165348602
1-nonoxypropan-2-yloxybenzene
CID 154296421
phenyl bis(12-tridecoxytridecyl) phosphite
CID 101311892

Frequently Asked Questions

What is the IUPAC name of bis(3-dodecoxy-2-hydroxypropyl) phenyl phosphite?
The IUPAC name of bis(3-dodecoxy-2-hydroxypropyl) phenyl phosphite (CID 54054497) is bis(3-dodecoxy-2-hydroxypropyl) phenyl phosphite.
What is the SMILES notation for bis(3-dodecoxy-2-hydroxypropyl) phenyl phosphite?
The canonical SMILES for bis(3-dodecoxy-2-hydroxypropyl) phenyl phosphite is CCCCCCCCCCCCOCC(O)COP(OCC(O)COCCCCCCCCCCCC)Oc1ccccc1.
What is the InChIKey of bis(3-dodecoxy-2-hydroxypropyl) phenyl phosphite?
The InChIKey is LVHLIHOZYDBKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H67O7P/c1-3-5-7-9-11-13-15-17-19-24-28-39-30-34(37)32-41-44(43-36-26-22-21-23-27-36)42-33-35(38)31-40-29-25-20-18-16-14-12-10-8-6-4-2/h21-23,26-27,34-35,37-38H,3-20,24-25,28-33H2,1-2H3.
What are the key properties of bis(3-dodecoxy-2-hydroxypropyl) phenyl phosphite?
bis(3-dodecoxy-2-hydroxypropyl) phenyl phosphite has a molecular weight of 642.90 g/mol, XLogP of 9.92, 34 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-dodecoxy-2-hydroxypropyl) phenyl phosphite is sourced from PubChem (CID 54054497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).