(2-tert-butylphenyl) bis(2-nonylphenyl) phosphite

C40H59O3P — CID 69425077

IUPAC(2-tert-butylphenyl) bis(2-nonylphenyl) phosphite
SMILESCCCCCCCCCc1ccccc1OP(Oc1ccccc1CCCCCCCCC)Oc1ccccc1C(C)(C)C
InChIInChI=1S/C40H59O3P/c1-6-8-10-12-14-16-18-26-34-28-20-23-31-37(34)41-44(43-39-33-25-22-30-36(39)40(3,4)5)42-38-32-24-21-29-35(38)27-19-17-15-13-11-9-7-2/h20-25,28-33H,6-19,26-27H2,1-5H3
InChIKeyXIJOOHYOHDBKCR-UHFFFAOYSA-N
MW618.88 g/mol
LogP13.33
Rot. Bonds22

About (2-tert-butylphenyl) bis(2-nonylphenyl) phosphite

(2-tert-butylphenyl) bis(2-nonylphenyl) phosphite (PubChem CID 69425077) has the molecular formula C40H59O3P and a molecular weight of 618.88 g/mol. Its IUPAC name is (2-tert-butylphenyl) bis(2-nonylphenyl) phosphite.

Molecular Properties

Compound Name(2-tert-butylphenyl) bis(2-nonylphenyl) phosphite
PubChem CID69425077
Molecular FormulaC40H59O3P
Molecular Weight618.88 g/mol
Exact Mass618.42
IUPAC Name(2-tert-butylphenyl) bis(2-nonylphenyl) phosphite
SMILESCCCCCCCCCc1ccccc1OP(Oc1ccccc1CCCCCCCCC)Oc1ccccc1C(C)(C)C
InChIInChI=1S/C40H59O3P/c1-6-8-10-12-14-16-18-26-34-28-20-23-31-37(34)41-44(43-39-33-25-22-30-36(39)40(3,4)5)42-38-32-24-21-29-35(38)27-19-17-15-13-11-9-7-2/h20-25,28-33H,6-19,26-27H2,1-5H3
InChIKeyXIJOOHYOHDBKCR-UHFFFAOYSA-N
XLogP13.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.88
LogP ≤ 513.33
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-tert-butyl-4-methylphenyl) dihydrogen phosphite;tris(2-nonylphenyl) phosphite
CID 160501939
bis(2-decylphenyl) phenyl phosphite
CID 67947899
butyl bis(2-tert-butylphenyl) phosphite
CID 141233548
bis(2-nonylphenyl) hydrogen phosphite
CID 14876803
dihydroxyphosphanyl (2-nonylphenyl) hydrogen phosphite
CID 154111856
1-tert-butyl-2-heptoxybenzene
CID 64763672
2,2-bis(hydroxymethyl)propane-1,3-diol;(2,6-ditert-butyl-4-methylphenyl) dihydroxyphosphanyl (2-nonylphenyl) phosphite
CID 175414345
1-methoxy-2-tetradecylbenzene
CID 69169530
1-decyl-2-ethoxybenzene
CID 175243335
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-(2-bromopropan-2-yl)-2-undecylbenzene
CID 166519006
1-heptyl-2-octadecoxybenzene
CID 139667653

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylphenyl) bis(2-nonylphenyl) phosphite?
The IUPAC name of (2-tert-butylphenyl) bis(2-nonylphenyl) phosphite (CID 69425077) is (2-tert-butylphenyl) bis(2-nonylphenyl) phosphite.
What is the SMILES notation for (2-tert-butylphenyl) bis(2-nonylphenyl) phosphite?
The canonical SMILES for (2-tert-butylphenyl) bis(2-nonylphenyl) phosphite is CCCCCCCCCc1ccccc1OP(Oc1ccccc1CCCCCCCCC)Oc1ccccc1C(C)(C)C.
What is the InChIKey of (2-tert-butylphenyl) bis(2-nonylphenyl) phosphite?
The InChIKey is XIJOOHYOHDBKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H59O3P/c1-6-8-10-12-14-16-18-26-34-28-20-23-31-37(34)41-44(43-39-33-25-22-30-36(39)40(3,4)5)42-38-32-24-21-29-35(38)27-19-17-15-13-11-9-7-2/h20-25,28-33H,6-19,26-27H2,1-5H3.
What are the key properties of (2-tert-butylphenyl) bis(2-nonylphenyl) phosphite?
(2-tert-butylphenyl) bis(2-nonylphenyl) phosphite has a molecular weight of 618.88 g/mol, XLogP of 13.33, 22 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylphenyl) bis(2-nonylphenyl) phosphite is sourced from PubChem (CID 69425077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).