(2,4-ditert-butylphenyl) dihydrogen phosphite

C28H46O6P2 — CID 159985357

IUPAC(2,4-ditert-butylphenyl) dihydrogen phosphite
SMILESCC(C)(C)c1ccc(OP(O)O)c(C(C)(C)C)c1.CC(C)(C)c1ccc(OP(O)O)c(C(C)(C)C)c1
InChIInChI=1S/2C14H23O3P/c2*1-13(2,3)10-7-8-12(17-18(15)16)11(9-10)14(4,5)6/h2*7-9,15-16H,1-6H3
InChIKeyOGGMXVVOEACZCP-UHFFFAOYSA-N
MW540.62 g/mol
LogP7.74
Rot. Bonds4

About (2,4-ditert-butylphenyl) dihydrogen phosphite

(2,4-ditert-butylphenyl) dihydrogen phosphite (PubChem CID 159985357) has the molecular formula C28H46O6P2 and a molecular weight of 540.62 g/mol. Its IUPAC name is (2,4-ditert-butylphenyl) dihydrogen phosphite.

Molecular Properties

Compound Name(2,4-ditert-butylphenyl) dihydrogen phosphite
PubChem CID159985357
Molecular FormulaC28H46O6P2
Molecular Weight540.62 g/mol
Exact Mass540.28
IUPAC Name(2,4-ditert-butylphenyl) dihydrogen phosphite
SMILESCC(C)(C)c1ccc(OP(O)O)c(C(C)(C)C)c1.CC(C)(C)c1ccc(OP(O)O)c(C(C)(C)C)c1
InChIInChI=1S/2C14H23O3P/c2*1-13(2,3)10-7-8-12(17-18(15)16)11(9-10)14(4,5)6/h2*7-9,15-16H,1-6H3
InChIKeyOGGMXVVOEACZCP-UHFFFAOYSA-N
XLogP7.74
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.62
LogP ≤ 57.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2,4-ditert-butylphenyl) dihydrogen phosphate;(2,4-ditert-butylphenyl) dihydrogen phosphite
CID 159327100
(2,4-ditert-butylphenoxy)-dimethylphosphane
CID 19091733
(2-tert-butyl-4-methylphenyl) dihydrogen phosphite
CID 19741799
ditert-butyl-(2,4-ditert-butylphenoxy)phosphane
CID 137456665
dibismuth;tris((2,4-ditert-butylphenyl) phosphite)
CID 159144248
2-bis(2,4-ditert-butylphenoxy)phosphanylethyl-bis(2,4-ditert-butylphenoxy)phosphane
CID 139718939
[2,4-bis(2-methylbutan-2-yl)phenyl] dihydrogen phosphite
CID 19899887
[(2,4-ditert-butylphenoxy)-hydroxyphosphanyl]oxy-oxido-oxophosphanium
CID 172860673
bis(3,6-ditert-butylnaphthalen-2-yl) (2,4-ditert-butylphenyl) phosphite
CID 23002702
[4-(2,4-ditert-butylphenyl)phenyl] dihydrogen phosphite
CID 175051245
2,4-ditert-butyl-1-(trifluoromethoxy)benzene
CID 164683677
(2,4-ditert-butylphenoxy)-methylphosphane
CID 23594675

Frequently Asked Questions

What is the IUPAC name of (2,4-ditert-butylphenyl) dihydrogen phosphite?
The IUPAC name of (2,4-ditert-butylphenyl) dihydrogen phosphite (CID 159985357) is (2,4-ditert-butylphenyl) dihydrogen phosphite.
What is the SMILES notation for (2,4-ditert-butylphenyl) dihydrogen phosphite?
The canonical SMILES for (2,4-ditert-butylphenyl) dihydrogen phosphite is CC(C)(C)c1ccc(OP(O)O)c(C(C)(C)C)c1.CC(C)(C)c1ccc(OP(O)O)c(C(C)(C)C)c1.
What is the InChIKey of (2,4-ditert-butylphenyl) dihydrogen phosphite?
The InChIKey is OGGMXVVOEACZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H23O3P/c2*1-13(2,3)10-7-8-12(17-18(15)16)11(9-10)14(4,5)6/h2*7-9,15-16H,1-6H3.
What are the key properties of (2,4-ditert-butylphenyl) dihydrogen phosphite?
(2,4-ditert-butylphenyl) dihydrogen phosphite has a molecular weight of 540.62 g/mol, XLogP of 7.74, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-ditert-butylphenyl) dihydrogen phosphite is sourced from PubChem (CID 159985357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).