tris(2-butan-2-ylphenyl) phosphite

C30H39O3P — CID 18519322

IUPACtris(2-butan-2-ylphenyl) phosphite
SMILESCCC(C)c1ccccc1OP(Oc1ccccc1C(C)CC)Oc1ccccc1C(C)CC
InChIInChI=1S/C30H39O3P/c1-7-22(4)25-16-10-13-19-28(25)31-34(32-29-20-14-11-17-26(29)23(5)8-2)33-30-21-15-12-18-27(30)24(6)9-3/h10-24H,7-9H2,1-6H3
InChIKeyDPXMCGQIIKXTKL-UHFFFAOYSA-N
MW478.61 g/mol
LogP9.99
Rot. Bonds12

About tris(2-butan-2-ylphenyl) phosphite

tris(2-butan-2-ylphenyl) phosphite (PubChem CID 18519322) has the molecular formula C30H39O3P and a molecular weight of 478.61 g/mol. Its IUPAC name is tris(2-butan-2-ylphenyl) phosphite.

Molecular Properties

Compound Nametris(2-butan-2-ylphenyl) phosphite
PubChem CID18519322
Molecular FormulaC30H39O3P
Molecular Weight478.61 g/mol
Exact Mass478.26
IUPAC Nametris(2-butan-2-ylphenyl) phosphite
SMILESCCC(C)c1ccccc1OP(Oc1ccccc1C(C)CC)Oc1ccccc1C(C)CC
InChIInChI=1S/C30H39O3P/c1-7-22(4)25-16-10-13-19-28(25)31-34(32-29-20-14-11-17-26(29)23(5)8-2)33-30-21-15-12-18-27(30)24(6)9-3/h10-24H,7-9H2,1-6H3
InChIKeyDPXMCGQIIKXTKL-UHFFFAOYSA-N
XLogP9.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.61
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-bis(2-butan-2-ylphenoxy)phosphanyloxyethoxy]ethyl bis(2-butan-2-ylphenyl) phosphite
CID 59498746
1-butan-2-yl-2-(trifluoromethoxy)benzene;ethane
CID 142580959
2-(2-butan-2-ylphenoxy)ethanolate
CID 164822470
4-(2-butan-2-ylphenoxy)-5,5-dimethylhexan-3-amine
CID 63456805
4-(2-butan-2-ylphenoxy)butan-2-amine
CID 43118978
(2-butan-2-ylphenyl) 4-methylbenzenesulfonate
CID 23034176
(2-butan-2-ylphenyl) N-methylcarbamate
CID 19588
2-(2-butan-2-ylphenoxy)-N-ethylpropan-1-amine
CID 54798619
1-butan-2-yl-2-propan-2-ylbenzene;ethane
CID 143715642
2-(2-butan-2-ylphenoxy)-1-phenylethanamine
CID 43099395
1-[2-(bromomethyl)-3-methylbutoxy]-2-butan-2-ylbenzene
CID 65012453
3-(2-butan-2-ylphenoxy)cyclobutan-1-one
CID 66368034

Frequently Asked Questions

What is the IUPAC name of tris(2-butan-2-ylphenyl) phosphite?
The IUPAC name of tris(2-butan-2-ylphenyl) phosphite (CID 18519322) is tris(2-butan-2-ylphenyl) phosphite.
What is the SMILES notation for tris(2-butan-2-ylphenyl) phosphite?
The canonical SMILES for tris(2-butan-2-ylphenyl) phosphite is CCC(C)c1ccccc1OP(Oc1ccccc1C(C)CC)Oc1ccccc1C(C)CC.
What is the InChIKey of tris(2-butan-2-ylphenyl) phosphite?
The InChIKey is DPXMCGQIIKXTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39O3P/c1-7-22(4)25-16-10-13-19-28(25)31-34(32-29-20-14-11-17-26(29)23(5)8-2)33-30-21-15-12-18-27(30)24(6)9-3/h10-24H,7-9H2,1-6H3.
What are the key properties of tris(2-butan-2-ylphenyl) phosphite?
tris(2-butan-2-ylphenyl) phosphite has a molecular weight of 478.61 g/mol, XLogP of 9.99, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-butan-2-ylphenyl) phosphite is sourced from PubChem (CID 18519322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).