2-[2-bis(2-butan-2-ylphenoxy)phosphanyloxyethoxy]ethyl bis(2-butan-2-ylphenyl) phosphite

C44H60O7P2 — CID 59498746

IUPAC2-[2-bis(2-butan-2-ylphenoxy)phosphanyloxyethoxy]ethyl bis(2-butan-2-ylphenyl) phosphite
SMILESCCC(C)c1ccccc1OP(OCCOCCOP(Oc1ccccc1C(C)CC)Oc1ccccc1C(C)CC)Oc1ccccc1C(C)CC
InChIInChI=1S/C44H60O7P2/c1-9-33(5)37-21-13-17-25-41(37)48-52(49-42-26-18-14-22-38(42)34(6)10-2)46-31-29-45-30-32-47-53(50-43-27-19-15-23-39(43)35(7)11-3)51-44-28-20-16-24-40(44)36(8)12-4/h13-28,33-36H,9-12,29-32H2,1-8H3
InChIKeyRAXWMJLUXKPNIC-UHFFFAOYSA-N
MW762.91 g/mol
LogP13.86
Rot. Bonds24

About 2-[2-bis(2-butan-2-ylphenoxy)phosphanyloxyethoxy]ethyl bis(2-butan-2-ylphenyl) phosphite

2-[2-bis(2-butan-2-ylphenoxy)phosphanyloxyethoxy]ethyl bis(2-butan-2-ylphenyl) phosphite (PubChem CID 59498746) has the molecular formula C44H60O7P2 and a molecular weight of 762.91 g/mol. Its IUPAC name is 2-[2-bis(2-butan-2-ylphenoxy)phosphanyloxyethoxy]ethyl bis(2-butan-2-ylphenyl) phosphite.

Molecular Properties

Compound Name2-[2-bis(2-butan-2-ylphenoxy)phosphanyloxyethoxy]ethyl bis(2-butan-2-ylphenyl) phosphite
PubChem CID59498746
Molecular FormulaC44H60O7P2
Molecular Weight762.91 g/mol
Exact Mass762.38
IUPAC Name2-[2-bis(2-butan-2-ylphenoxy)phosphanyloxyethoxy]ethyl bis(2-butan-2-ylphenyl) phosphite
SMILESCCC(C)c1ccccc1OP(OCCOCCOP(Oc1ccccc1C(C)CC)Oc1ccccc1C(C)CC)Oc1ccccc1C(C)CC
InChIInChI=1S/C44H60O7P2/c1-9-33(5)37-21-13-17-25-41(37)48-52(49-42-26-18-14-22-38(42)34(6)10-2)46-31-29-45-30-32-47-53(50-43-27-19-15-23-39(43)35(7)11-3)51-44-28-20-16-24-40(44)36(8)12-4/h13-28,33-36H,9-12,29-32H2,1-8H3
InChIKeyRAXWMJLUXKPNIC-UHFFFAOYSA-N
XLogP13.86
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.91
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

tris(2-butan-2-ylphenyl) phosphite
CID 18519322
2-bis(2-butan-2-ylphenoxy)phosphanyloxyethyl bis(2-butan-2-ylphenyl) phosphite;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;3-diphenoxyphosphanyloxypropyl diphenyl phosphite;tris(2-butan-2-ylphenyl) phosphite
CID 167641823
2-(2-butan-2-ylphenoxy)ethanolate
CID 164822470
1-butan-2-yl-2-(trifluoromethoxy)benzene;ethane
CID 142580959
4-(2-butan-2-ylphenoxy)butan-2-amine
CID 43118978
2-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl-(3-methoxypropyl)azanium
CID 7381522
1-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]imidazole
CID 40609983
4-[2-[2-(2-butan-2-ylphenoxy)ethoxy]ethyl]morpholine
CID 2923927
(2R,6R)-4-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium
CID 7413497
4-[2-[(2R)-butan-2-yl]phenoxy]-N,N-diethylbutan-1-amine
CID 2298137
N-[3-(2-butan-2-ylphenoxy)propyl]butan-1-amine
CID 2923717
N-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]butan-1-amine
CID 2299738

Frequently Asked Questions

What is the IUPAC name of 2-[2-bis(2-butan-2-ylphenoxy)phosphanyloxyethoxy]ethyl bis(2-butan-2-ylphenyl) phosphite?
The IUPAC name of 2-[2-bis(2-butan-2-ylphenoxy)phosphanyloxyethoxy]ethyl bis(2-butan-2-ylphenyl) phosphite (CID 59498746) is 2-[2-bis(2-butan-2-ylphenoxy)phosphanyloxyethoxy]ethyl bis(2-butan-2-ylphenyl) phosphite.
What is the SMILES notation for 2-[2-bis(2-butan-2-ylphenoxy)phosphanyloxyethoxy]ethyl bis(2-butan-2-ylphenyl) phosphite?
The canonical SMILES for 2-[2-bis(2-butan-2-ylphenoxy)phosphanyloxyethoxy]ethyl bis(2-butan-2-ylphenyl) phosphite is CCC(C)c1ccccc1OP(OCCOCCOP(Oc1ccccc1C(C)CC)Oc1ccccc1C(C)CC)Oc1ccccc1C(C)CC.
What is the InChIKey of 2-[2-bis(2-butan-2-ylphenoxy)phosphanyloxyethoxy]ethyl bis(2-butan-2-ylphenyl) phosphite?
The InChIKey is RAXWMJLUXKPNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H60O7P2/c1-9-33(5)37-21-13-17-25-41(37)48-52(49-42-26-18-14-22-38(42)34(6)10-2)46-31-29-45-30-32-47-53(50-43-27-19-15-23-39(43)35(7)11-3)51-44-28-20-16-24-40(44)36(8)12-4/h13-28,33-36H,9-12,29-32H2,1-8H3.
What are the key properties of 2-[2-bis(2-butan-2-ylphenoxy)phosphanyloxyethoxy]ethyl bis(2-butan-2-ylphenyl) phosphite?
2-[2-bis(2-butan-2-ylphenoxy)phosphanyloxyethoxy]ethyl bis(2-butan-2-ylphenyl) phosphite has a molecular weight of 762.91 g/mol, XLogP of 13.86, 24 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bis(2-butan-2-ylphenoxy)phosphanyloxyethoxy]ethyl bis(2-butan-2-ylphenyl) phosphite is sourced from PubChem (CID 59498746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).