(2-tert-butyl-4-methylphenyl) dihydrogen phosphite;tris(2-nonylphenyl) phosphite

C56H86O6P2 — CID 160501939

IUPAC(2-tert-butyl-4-methylphenyl) dihydrogen phosphite;tris(2-nonylphenyl) phosphite
SMILESCCCCCCCCCc1ccccc1OP(Oc1ccccc1CCCCCCCCC)Oc1ccccc1CCCCCCCCC.Cc1ccc(OP(O)O)c(C(C)(C)C)c1
InChIInChI=1S/C45H69O3P.C11H17O3P/c1-4-7-10-13-16-19-22-31-40-34-25-28-37-43(40)46-49(47-44-38-29-26-35-41(44)32-23-20-17-14-11-8-5-2)48-45-39-30-27-36-42(45)33-24-21-18-15-12-9-6-3;1-8-5-6-10(14-15(12)13)9(7-8)11(2,3)4/h25-30,34-39H,4-24,31-33H2,1-3H3;5-7,12-13H,1-4H3
InChIKeyQRWZIPDJACCTCD-UHFFFAOYSA-N
MW917.25 g/mol
LogP18.21
Rot. Bonds32

About (2-tert-butyl-4-methylphenyl) dihydrogen phosphite;tris(2-nonylphenyl) phosphite

(2-tert-butyl-4-methylphenyl) dihydrogen phosphite;tris(2-nonylphenyl) phosphite (PubChem CID 160501939) has the molecular formula C56H86O6P2 and a molecular weight of 917.25 g/mol. Its IUPAC name is (2-tert-butyl-4-methylphenyl) dihydrogen phosphite;tris(2-nonylphenyl) phosphite.

Molecular Properties

Compound Name(2-tert-butyl-4-methylphenyl) dihydrogen phosphite;tris(2-nonylphenyl) phosphite
PubChem CID160501939
Molecular FormulaC56H86O6P2
Molecular Weight917.25 g/mol
Exact Mass916.59
IUPAC Name(2-tert-butyl-4-methylphenyl) dihydrogen phosphite;tris(2-nonylphenyl) phosphite
SMILESCCCCCCCCCc1ccccc1OP(Oc1ccccc1CCCCCCCCC)Oc1ccccc1CCCCCCCCC.Cc1ccc(OP(O)O)c(C(C)(C)C)c1
InChIInChI=1S/C45H69O3P.C11H17O3P/c1-4-7-10-13-16-19-22-31-40-34-25-28-37-43(40)46-49(47-44-38-29-26-35-41(44)32-23-20-17-14-11-8-5-2)48-45-39-30-27-36-42(45)33-24-21-18-15-12-9-6-3;1-8-5-6-10(14-15(12)13)9(7-8)11(2,3)4/h25-30,34-39H,4-24,31-33H2,1-3H3;5-7,12-13H,1-4H3
InChIKeyQRWZIPDJACCTCD-UHFFFAOYSA-N
XLogP18.21
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds32
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.25
LogP ≤ 518.21
H-Bond Donors ≤ 52
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-tert-butylphenyl) bis(2-nonylphenyl) phosphite
CID 69425077
2-tert-butyl-1-hexoxy-4-hexyl-3-methylbenzene;(2-tert-butyl-4-methylphenyl) dihydrogen phosphite;phosphorous acid
CID 88706439
2,2-bis(hydroxymethyl)propane-1,3-diol;(2,6-ditert-butyl-4-methylphenyl) dihydroxyphosphanyl (2-nonylphenyl) phosphite
CID 175414345
(2,5-ditert-butyl-4-octylphenyl) dihydrogen phosphite
CID 150612862
dihydroxyphosphanyl (2-nonylphenyl) hydrogen phosphite
CID 154111856
dicyclohexyl hydrogen phosphite;(2-pentylphenyl) dihydrogen phosphite
CID 158541256
diphenyl hydrogen phosphite;(2-nonylphenyl) dihydrogen phosphite
CID 88805641
bis(2-nonylphenyl) hydrogen phosphite
CID 14876803
[2-[9,9-bis[4-methyl-2,6-bis(2,4,4-trimethylpentan-2-yl)phenyl]nonyl]phenyl] dihydrogen phosphite
CID 88638189
bis(2-decylphenyl) phenyl phosphite
CID 67947899
bis[4-methyl-2-(2-methylheptan-2-yl)phenyl] phenyl phosphite
CID 66925886
phosphane;tris([2,3,4-tri(nonyl)phenyl] dihydrogen phosphite)
CID 172726216

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-4-methylphenyl) dihydrogen phosphite;tris(2-nonylphenyl) phosphite?
The IUPAC name of (2-tert-butyl-4-methylphenyl) dihydrogen phosphite;tris(2-nonylphenyl) phosphite (CID 160501939) is (2-tert-butyl-4-methylphenyl) dihydrogen phosphite;tris(2-nonylphenyl) phosphite.
What is the SMILES notation for (2-tert-butyl-4-methylphenyl) dihydrogen phosphite;tris(2-nonylphenyl) phosphite?
The canonical SMILES for (2-tert-butyl-4-methylphenyl) dihydrogen phosphite;tris(2-nonylphenyl) phosphite is CCCCCCCCCc1ccccc1OP(Oc1ccccc1CCCCCCCCC)Oc1ccccc1CCCCCCCCC.Cc1ccc(OP(O)O)c(C(C)(C)C)c1.
What is the InChIKey of (2-tert-butyl-4-methylphenyl) dihydrogen phosphite;tris(2-nonylphenyl) phosphite?
The InChIKey is QRWZIPDJACCTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H69O3P.C11H17O3P/c1-4-7-10-13-16-19-22-31-40-34-25-28-37-43(40)46-49(47-44-38-29-26-35-41(44)32-23-20-17-14-11-8-5-2)48-45-39-30-27-36-42(45)33-24-21-18-15-12-9-6-3;1-8-5-6-10(14-15(12)13)9(7-8)11(2,3)4/h25-30,34-39H,4-24,31-33H2,1-3H3;5-7,12-13H,1-4H3.
What are the key properties of (2-tert-butyl-4-methylphenyl) dihydrogen phosphite;tris(2-nonylphenyl) phosphite?
(2-tert-butyl-4-methylphenyl) dihydrogen phosphite;tris(2-nonylphenyl) phosphite has a molecular weight of 917.25 g/mol, XLogP of 18.21, 32 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-4-methylphenyl) dihydrogen phosphite;tris(2-nonylphenyl) phosphite is sourced from PubChem (CID 160501939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).