2,8-bis(2,4-ditert-butylphenoxy)-1-ethyl-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane

C34H53NO5P2 — CID 19742185

IUPAC2,8-bis(2,4-ditert-butylphenoxy)-1-ethyl-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane
SMILESCCN1P(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)OCC12COP(Oc1ccc(C(C)(C)C)cc1C(C)(C)C)OC2
InChIInChI=1S/C34H53NO5P2/c1-14-35-34(21-36-41(35)39-28-17-15-24(30(2,3)4)19-26(28)32(8,9)10)22-37-42(38-23-34)40-29-18-16-25(31(5,6)7)20-27(29)33(11,12)13/h15-20H,14,21-23H2,1-13H3
InChIKeyPLYNLXJIBBRKSG-UHFFFAOYSA-N
MW617.75 g/mol
LogP9.93
Rot. Bonds5

About 2,8-bis(2,4-ditert-butylphenoxy)-1-ethyl-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane

2,8-bis(2,4-ditert-butylphenoxy)-1-ethyl-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane (PubChem CID 19742185) has the molecular formula C34H53NO5P2 and a molecular weight of 617.75 g/mol. Its IUPAC name is 2,8-bis(2,4-ditert-butylphenoxy)-1-ethyl-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane.

Molecular Properties

Compound Name2,8-bis(2,4-ditert-butylphenoxy)-1-ethyl-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane
PubChem CID19742185
Molecular FormulaC34H53NO5P2
Molecular Weight617.75 g/mol
Exact Mass617.34
IUPAC Name2,8-bis(2,4-ditert-butylphenoxy)-1-ethyl-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane
SMILESCCN1P(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)OCC12COP(Oc1ccc(C(C)(C)C)cc1C(C)(C)C)OC2
InChIInChI=1S/C34H53NO5P2/c1-14-35-34(21-36-41(35)39-28-17-15-24(30(2,3)4)19-26(28)32(8,9)10)22-37-42(38-23-34)40-29-18-16-25(31(5,6)7)20-27(29)33(11,12)13/h15-20H,14,21-23H2,1-13H3
InChIKeyPLYNLXJIBBRKSG-UHFFFAOYSA-N
XLogP9.93
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.75
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

Bis(2,4-di-tert-butylphenyl)pentaerythritol diphosphite
CID 93101
3-tert-Butyl-2-(2,6-di-tert-butyl-4-methylphenoxy)-1,3,2-oxazaphospholidine
CID 14228111
3-Tert-butyl-2-[2,6-ditert-butyl-4-[[3,5-ditert-butyl-4-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]methyl]phenoxy]-1,3,2-oxazaphospholidine
CID 14228118
3-Tert-butyl-2-[2,4-ditert-butyl-6-[[3,5-ditert-butyl-2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]methyl]phenoxy]-1,3,2-oxazaphospholidine
CID 14228123
3-Tert-butyl-2-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3,2-oxazaphospholidine
CID 14228127
3-Tert-butyl-2-(2,4,6-trimethylphenoxy)-1,3,2-oxazaphospholidine
CID 14228110
3-Tert-butyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-oxazaphospholidine
CID 14228112
3-Tert-butyl-2-(2,4-ditert-butylphenoxy)-1,3,2-oxazaphospholidine
CID 14228113
3-Tert-butyl-2-(2,4,6-tritert-butylphenoxy)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]oxazaphosphole
CID 14228116
3-Tert-butyl-2-[2-[2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3,2-oxazaphospholidine
CID 14228125
1-Benzyl-2,8-di(2,4-di-tert-butylphenoxy)-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4,5]decane
CID 19742179
2,8-Bis(2,4-ditert-butylphenoxy)-1-(2-methylpropyl)-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane
CID 19742184

Frequently Asked Questions

What is the IUPAC name of 2,8-bis(2,4-ditert-butylphenoxy)-1-ethyl-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane?
The IUPAC name of 2,8-bis(2,4-ditert-butylphenoxy)-1-ethyl-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane (CID 19742185) is 2,8-bis(2,4-ditert-butylphenoxy)-1-ethyl-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane.
What is the SMILES notation for 2,8-bis(2,4-ditert-butylphenoxy)-1-ethyl-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane?
The canonical SMILES for 2,8-bis(2,4-ditert-butylphenoxy)-1-ethyl-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane is CCN1P(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)OCC12COP(Oc1ccc(C(C)(C)C)cc1C(C)(C)C)OC2.
What is the InChIKey of 2,8-bis(2,4-ditert-butylphenoxy)-1-ethyl-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane?
The InChIKey is PLYNLXJIBBRKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H53NO5P2/c1-14-35-34(21-36-41(35)39-28-17-15-24(30(2,3)4)19-26(28)32(8,9)10)22-37-42(38-23-34)40-29-18-16-25(31(5,6)7)20-27(29)33(11,12)13/h15-20H,14,21-23H2,1-13H3.
What are the key properties of 2,8-bis(2,4-ditert-butylphenoxy)-1-ethyl-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane?
2,8-bis(2,4-ditert-butylphenoxy)-1-ethyl-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane has a molecular weight of 617.75 g/mol, XLogP of 9.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-bis(2,4-ditert-butylphenoxy)-1-ethyl-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane is sourced from PubChem (CID 19742185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).