2,2-dimethylpropyl (2,4,6-trimethylphenyl) hydrogen phosphite

C14H23O3P — CID 23454647

IUPAC2,2-dimethylpropyl (2,4,6-trimethylphenyl) hydrogen phosphite
SMILESCc1cc(C)c(OP(O)OCC(C)(C)C)c(C)c1
InChIInChI=1S/C14H23O3P/c1-10-7-11(2)13(12(3)8-10)17-18(15)16-9-14(4,5)6/h7-8,15H,9H2,1-6H3
InChIKeyIUWLERBVQNGVED-UHFFFAOYSA-N
MW270.31 g/mol
LogP4.27
Rot. Bonds4

About 2,2-dimethylpropyl (2,4,6-trimethylphenyl) hydrogen phosphite

2,2-dimethylpropyl (2,4,6-trimethylphenyl) hydrogen phosphite (PubChem CID 23454647) has the molecular formula C14H23O3P and a molecular weight of 270.31 g/mol. Its IUPAC name is 2,2-dimethylpropyl (2,4,6-trimethylphenyl) hydrogen phosphite.

Molecular Properties

Compound Name2,2-dimethylpropyl (2,4,6-trimethylphenyl) hydrogen phosphite
PubChem CID23454647
Molecular FormulaC14H23O3P
Molecular Weight270.31 g/mol
Exact Mass270.14
IUPAC Name2,2-dimethylpropyl (2,4,6-trimethylphenyl) hydrogen phosphite
SMILESCc1cc(C)c(OP(O)OCC(C)(C)C)c(C)c1
InChIInChI=1S/C14H23O3P/c1-10-7-11(2)13(12(3)8-10)17-18(15)16-9-14(4,5)6/h7-8,15H,9H2,1-6H3
InChIKeyIUWLERBVQNGVED-UHFFFAOYSA-N
XLogP4.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl (2,4,6-trimethylphenyl) hydrogen phosphite?
The IUPAC name of 2,2-dimethylpropyl (2,4,6-trimethylphenyl) hydrogen phosphite (CID 23454647) is 2,2-dimethylpropyl (2,4,6-trimethylphenyl) hydrogen phosphite.
What is the SMILES notation for 2,2-dimethylpropyl (2,4,6-trimethylphenyl) hydrogen phosphite?
The canonical SMILES for 2,2-dimethylpropyl (2,4,6-trimethylphenyl) hydrogen phosphite is Cc1cc(C)c(OP(O)OCC(C)(C)C)c(C)c1.
What is the InChIKey of 2,2-dimethylpropyl (2,4,6-trimethylphenyl) hydrogen phosphite?
The InChIKey is IUWLERBVQNGVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23O3P/c1-10-7-11(2)13(12(3)8-10)17-18(15)16-9-14(4,5)6/h7-8,15H,9H2,1-6H3.
What are the key properties of 2,2-dimethylpropyl (2,4,6-trimethylphenyl) hydrogen phosphite?
2,2-dimethylpropyl (2,4,6-trimethylphenyl) hydrogen phosphite has a molecular weight of 270.31 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl (2,4,6-trimethylphenyl) hydrogen phosphite is sourced from PubChem (CID 23454647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).