(2,5-ditert-butyl-4-octylphenyl) dihydrogen phosphite

C22H39O3P — CID 150612862

IUPAC(2,5-ditert-butyl-4-octylphenyl) dihydrogen phosphite
SMILESCCCCCCCCc1cc(C(C)(C)C)c(OP(O)O)cc1C(C)(C)C
InChIInChI=1S/C22H39O3P/c1-8-9-10-11-12-13-14-17-15-19(22(5,6)7)20(25-26(23)24)16-18(17)21(2,3)4/h15-16,23-24H,8-14H2,1-7H3
InChIKeyBSBKVXMOFQJXKL-UHFFFAOYSA-N
MW382.53 g/mol
LogP6.77
Rot. Bonds9

About (2,5-ditert-butyl-4-octylphenyl) dihydrogen phosphite

(2,5-ditert-butyl-4-octylphenyl) dihydrogen phosphite (PubChem CID 150612862) has the molecular formula C22H39O3P and a molecular weight of 382.53 g/mol. Its IUPAC name is (2,5-ditert-butyl-4-octylphenyl) dihydrogen phosphite.

Molecular Properties

Compound Name(2,5-ditert-butyl-4-octylphenyl) dihydrogen phosphite
PubChem CID150612862
Molecular FormulaC22H39O3P
Molecular Weight382.53 g/mol
Exact Mass382.26
IUPAC Name(2,5-ditert-butyl-4-octylphenyl) dihydrogen phosphite
SMILESCCCCCCCCc1cc(C(C)(C)C)c(OP(O)O)cc1C(C)(C)C
InChIInChI=1S/C22H39O3P/c1-8-9-10-11-12-13-14-17-15-19(22(5,6)7)20(25-26(23)24)16-18(17)21(2,3)4/h15-16,23-24H,8-14H2,1-7H3
InChIKeyBSBKVXMOFQJXKL-UHFFFAOYSA-N
XLogP6.77
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.53
LogP ≤ 56.77
H-Bond Donors ≤ 52
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
2-tert-butyl-1-hexoxy-4-hexyl-3-methylbenzene;(2-tert-butyl-4-methylphenyl) dihydrogen phosphite;phosphorous acid
CID 88706439
phosphane;tris([2,3,4-tri(nonyl)phenyl] dihydrogen phosphite)
CID 172726216
(2,3,4-tripentylphenyl) dihydrogen phosphite
CID 141324371
2-(2,5-ditert-butyl-4-octylphenyl)phenol
CID 159042463
6-tert-butyl-3-methyl-2,4-dioctylphenol
CID 139902763
4-tert-butyl-3-dodecylbenzenesulfonic acid
CID 168865049
(2-tert-butylphenyl) bis(2-nonylphenyl) phosphite
CID 69425077
(2,4-dibutyl-5-methylphenyl) dihydrogen phosphite
CID 151672758
diphenyl hydrogen phosphite;(2-nonylphenyl) dihydrogen phosphite
CID 88805641
bis[2-tert-butyl-5-methyl-4-(2-methylheptan-2-yl)phenyl] hydrogen phosphite
CID 66926002
2,2-bis(hydroxymethyl)propane-1,3-diol;(2,6-ditert-butyl-4-methylphenyl) dihydroxyphosphanyl (2-nonylphenyl) phosphite
CID 175414345

Frequently Asked Questions

What is the IUPAC name of (2,5-ditert-butyl-4-octylphenyl) dihydrogen phosphite?
The IUPAC name of (2,5-ditert-butyl-4-octylphenyl) dihydrogen phosphite (CID 150612862) is (2,5-ditert-butyl-4-octylphenyl) dihydrogen phosphite.
What is the SMILES notation for (2,5-ditert-butyl-4-octylphenyl) dihydrogen phosphite?
The canonical SMILES for (2,5-ditert-butyl-4-octylphenyl) dihydrogen phosphite is CCCCCCCCc1cc(C(C)(C)C)c(OP(O)O)cc1C(C)(C)C.
What is the InChIKey of (2,5-ditert-butyl-4-octylphenyl) dihydrogen phosphite?
The InChIKey is BSBKVXMOFQJXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39O3P/c1-8-9-10-11-12-13-14-17-15-19(22(5,6)7)20(25-26(23)24)16-18(17)21(2,3)4/h15-16,23-24H,8-14H2,1-7H3.
What are the key properties of (2,5-ditert-butyl-4-octylphenyl) dihydrogen phosphite?
(2,5-ditert-butyl-4-octylphenyl) dihydrogen phosphite has a molecular weight of 382.53 g/mol, XLogP of 6.77, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-ditert-butyl-4-octylphenyl) dihydrogen phosphite is sourced from PubChem (CID 150612862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).