2,2-bis[2-methyl-4,6-bis(2-methylpropyl)phenyl]ethyl dihydrogen phosphite

C32H51O3P — CID 118513743

IUPAC2,2-bis[2-methyl-4,6-bis(2-methylpropyl)phenyl]ethyl dihydrogen phosphite
SMILESCc1cc(CC(C)C)cc(CC(C)C)c1C(COP(O)O)c1c(C)cc(CC(C)C)cc1CC(C)C
InChIInChI=1S/C32H51O3P/c1-20(2)11-26-15-24(9)31(28(17-26)13-22(5)6)30(19-35-36(33)34)32-25(10)16-27(12-21(3)4)18-29(32)14-23(7)8/h15-18,20-23,30,33-34H,11-14,19H2,1-10H3
InChIKeyMEIHLHKWIVNCHQ-UHFFFAOYSA-N
MW514.73 g/mol
LogP8.46
Rot. Bonds13

About 2,2-bis[2-methyl-4,6-bis(2-methylpropyl)phenyl]ethyl dihydrogen phosphite

2,2-bis[2-methyl-4,6-bis(2-methylpropyl)phenyl]ethyl dihydrogen phosphite (PubChem CID 118513743) has the molecular formula C32H51O3P and a molecular weight of 514.73 g/mol. Its IUPAC name is 2,2-bis[2-methyl-4,6-bis(2-methylpropyl)phenyl]ethyl dihydrogen phosphite.

Molecular Properties

Compound Name2,2-bis[2-methyl-4,6-bis(2-methylpropyl)phenyl]ethyl dihydrogen phosphite
PubChem CID118513743
Molecular FormulaC32H51O3P
Molecular Weight514.73 g/mol
Exact Mass514.36
IUPAC Name2,2-bis[2-methyl-4,6-bis(2-methylpropyl)phenyl]ethyl dihydrogen phosphite
SMILESCc1cc(CC(C)C)cc(CC(C)C)c1C(COP(O)O)c1c(C)cc(CC(C)C)cc1CC(C)C
InChIInChI=1S/C32H51O3P/c1-20(2)11-26-15-24(9)31(28(17-26)13-22(5)6)30(19-35-36(33)34)32-25(10)16-27(12-21(3)4)18-29(32)14-23(7)8/h15-18,20-23,30,33-34H,11-14,19H2,1-10H3
InChIKeyMEIHLHKWIVNCHQ-UHFFFAOYSA-N
XLogP8.46
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.73
LogP ≤ 58.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-bis(hydroxymethyl)-1,1-bis[2-methyl-4,6-bis(2-methylpropyl)phenyl]propane-1,3-diol
CID 140780110
2,3,5-tris(2-methylpropyl)phenol
CID 101292759
2,2-bis(hydroxymethyl)-1,1-bis[2,4,6-tris(2-methylpropyl)phenyl]propane-1,3-diol
CID 140780109
1,2,4-trimethyl-5-(2-methylpropyl)benzene
CID 22968949
1,2-dimethyl-4-(2-methylpropyl)benzene;methane
CID 143912284
[3-bromo-2-ethoxy-5-(2-methylpropyl)phenyl]methanol
CID 164894455
[3-methyl-5-(2-methylpropyl)phenyl] acetate
CID 118269385
1-(5-ethyl-2,3-dimethylphenyl)propan-2-ol
CID 117283284
4-[[3,5-bis[[4-hydroxy-3,5-bis(2-methylpropyl)phenyl]methyl]-2,4,6-trimethylphenyl]methyl]-2,6-bis(2-methylpropyl)phenol
CID 118513751
5-(2-hydroxypropyl)-2,3-dimethylphenol
CID 117278410
2-(3,4-dimethylphenyl)-1-[4-(2-methylpropyl)phenyl]ethanone
CID 63491622
ethyl 2-[2-(2-ethoxy-2-oxoethyl)-4-(2-methylpropyl)phenyl]acetate
CID 140674159

Frequently Asked Questions

What is the IUPAC name of 2,2-bis[2-methyl-4,6-bis(2-methylpropyl)phenyl]ethyl dihydrogen phosphite?
The IUPAC name of 2,2-bis[2-methyl-4,6-bis(2-methylpropyl)phenyl]ethyl dihydrogen phosphite (CID 118513743) is 2,2-bis[2-methyl-4,6-bis(2-methylpropyl)phenyl]ethyl dihydrogen phosphite.
What is the SMILES notation for 2,2-bis[2-methyl-4,6-bis(2-methylpropyl)phenyl]ethyl dihydrogen phosphite?
The canonical SMILES for 2,2-bis[2-methyl-4,6-bis(2-methylpropyl)phenyl]ethyl dihydrogen phosphite is Cc1cc(CC(C)C)cc(CC(C)C)c1C(COP(O)O)c1c(C)cc(CC(C)C)cc1CC(C)C.
What is the InChIKey of 2,2-bis[2-methyl-4,6-bis(2-methylpropyl)phenyl]ethyl dihydrogen phosphite?
The InChIKey is MEIHLHKWIVNCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H51O3P/c1-20(2)11-26-15-24(9)31(28(17-26)13-22(5)6)30(19-35-36(33)34)32-25(10)16-27(12-21(3)4)18-29(32)14-23(7)8/h15-18,20-23,30,33-34H,11-14,19H2,1-10H3.
What are the key properties of 2,2-bis[2-methyl-4,6-bis(2-methylpropyl)phenyl]ethyl dihydrogen phosphite?
2,2-bis[2-methyl-4,6-bis(2-methylpropyl)phenyl]ethyl dihydrogen phosphite has a molecular weight of 514.73 g/mol, XLogP of 8.46, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[2-methyl-4,6-bis(2-methylpropyl)phenyl]ethyl dihydrogen phosphite is sourced from PubChem (CID 118513743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).