(2-tert-butylphenyl) dihydroxyphosphanyl hydrogen phosphite

C10H16O5P2 — CID 154036014

IUPAC(2-tert-butylphenyl) dihydroxyphosphanyl hydrogen phosphite
SMILESCC(C)(C)c1ccccc1OP(O)OP(O)O
InChIInChI=1S/C10H16O5P2/c1-10(2,3)8-6-4-5-7-9(8)14-17(13)15-16(11)12/h4-7,11-13H,1-3H3
InChIKeyWTBQHHMNCOSCIX-UHFFFAOYSA-N
MW278.18 g/mol
LogP2.81
Rot. Bonds4

About (2-tert-butylphenyl) dihydroxyphosphanyl hydrogen phosphite

(2-tert-butylphenyl) dihydroxyphosphanyl hydrogen phosphite (PubChem CID 154036014) has the molecular formula C10H16O5P2 and a molecular weight of 278.18 g/mol. Its IUPAC name is (2-tert-butylphenyl) dihydroxyphosphanyl hydrogen phosphite.

Molecular Properties

Compound Name(2-tert-butylphenyl) dihydroxyphosphanyl hydrogen phosphite
PubChem CID154036014
Molecular FormulaC10H16O5P2
Molecular Weight278.18 g/mol
Exact Mass278.05
IUPAC Name(2-tert-butylphenyl) dihydroxyphosphanyl hydrogen phosphite
SMILESCC(C)(C)c1ccccc1OP(O)OP(O)O
InChIInChI=1S/C10H16O5P2/c1-10(2,3)8-6-4-5-7-9(8)14-17(13)15-16(11)12/h4-7,11-13H,1-3H3
InChIKeyWTBQHHMNCOSCIX-UHFFFAOYSA-N
XLogP2.81
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-tert-butylphenyl) dihydroxyphosphanyl hydrogen phosphite?
The IUPAC name of (2-tert-butylphenyl) dihydroxyphosphanyl hydrogen phosphite (CID 154036014) is (2-tert-butylphenyl) dihydroxyphosphanyl hydrogen phosphite.
What is the SMILES notation for (2-tert-butylphenyl) dihydroxyphosphanyl hydrogen phosphite?
The canonical SMILES for (2-tert-butylphenyl) dihydroxyphosphanyl hydrogen phosphite is CC(C)(C)c1ccccc1OP(O)OP(O)O.
What is the InChIKey of (2-tert-butylphenyl) dihydroxyphosphanyl hydrogen phosphite?
The InChIKey is WTBQHHMNCOSCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5P2/c1-10(2,3)8-6-4-5-7-9(8)14-17(13)15-16(11)12/h4-7,11-13H,1-3H3.
What are the key properties of (2-tert-butylphenyl) dihydroxyphosphanyl hydrogen phosphite?
(2-tert-butylphenyl) dihydroxyphosphanyl hydrogen phosphite has a molecular weight of 278.18 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylphenyl) dihydroxyphosphanyl hydrogen phosphite is sourced from PubChem (CID 154036014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).