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

C36H57NO5P2 — CID 19742184

IUPAC2,8-bis(2,4-ditert-butylphenoxy)-1-(2-methylpropyl)-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane
SMILESCC(C)CN1P(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)OCC12COP(Oc1ccc(C(C)(C)C)cc1C(C)(C)C)OC2
InChIInChI=1S/C36H57NO5P2/c1-25(2)21-37-36(22-38-43(37)41-30-17-15-26(32(3,4)5)19-28(30)34(9,10)11)23-39-44(40-24-36)42-31-18-16-27(33(6,7)8)20-29(31)35(12,13)14/h15-20,25H,21-24H2,1-14H3
InChIKeySWEPDOLRROXYLI-UHFFFAOYSA-N
MW645.80 g/mol
LogP10.56
Rot. Bonds6

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

2,8-bis(2,4-ditert-butylphenoxy)-1-(2-methylpropyl)-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane (PubChem CID 19742184) has the molecular formula C36H57NO5P2 and a molecular weight of 645.80 g/mol. Its IUPAC name is 2,8-bis(2,4-ditert-butylphenoxy)-1-(2-methylpropyl)-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane.

Molecular Properties

Compound Name2,8-bis(2,4-ditert-butylphenoxy)-1-(2-methylpropyl)-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane
PubChem CID19742184
Molecular FormulaC36H57NO5P2
Molecular Weight645.80 g/mol
Exact Mass645.37
IUPAC Name2,8-bis(2,4-ditert-butylphenoxy)-1-(2-methylpropyl)-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane
SMILESCC(C)CN1P(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)OCC12COP(Oc1ccc(C(C)(C)C)cc1C(C)(C)C)OC2
InChIInChI=1S/C36H57NO5P2/c1-25(2)21-37-36(22-38-43(37)41-30-17-15-26(32(3,4)5)19-28(30)34(9,10)11)23-39-44(40-24-36)42-31-18-16-27(33(6,7)8)20-29(31)35(12,13)14/h15-20,25H,21-24H2,1-14H3
InChIKeySWEPDOLRROXYLI-UHFFFAOYSA-N
XLogP10.56
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.80
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-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-ethyl-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane
CID 19742185
2,8-Bis[2,6-bis(1,1-dimethylethyl)-4-methylphenoxy]-1-(phenylmethyl)-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane
CID 19742186
6-Methylheptyl 3-[3-tert-butyl-4-[[8-[2-tert-butyl-4-[3-(6-methylheptoxy)-3-oxopropyl]phenoxy]-1-(2-methylpropyl)-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decan-2-yl]oxy]phenyl]propanoate
CID 19742190

Frequently Asked Questions

What is the IUPAC name of 2,8-bis(2,4-ditert-butylphenoxy)-1-(2-methylpropyl)-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane?
The IUPAC name of 2,8-bis(2,4-ditert-butylphenoxy)-1-(2-methylpropyl)-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane (CID 19742184) is 2,8-bis(2,4-ditert-butylphenoxy)-1-(2-methylpropyl)-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-(2-methylpropyl)-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane?
The canonical SMILES for 2,8-bis(2,4-ditert-butylphenoxy)-1-(2-methylpropyl)-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane is CC(C)CN1P(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-(2-methylpropyl)-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane?
The InChIKey is SWEPDOLRROXYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H57NO5P2/c1-25(2)21-37-36(22-38-43(37)41-30-17-15-26(32(3,4)5)19-28(30)34(9,10)11)23-39-44(40-24-36)42-31-18-16-27(33(6,7)8)20-29(31)35(12,13)14/h15-20,25H,21-24H2,1-14H3.
What are the key properties of 2,8-bis(2,4-ditert-butylphenoxy)-1-(2-methylpropyl)-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane?
2,8-bis(2,4-ditert-butylphenoxy)-1-(2-methylpropyl)-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane has a molecular weight of 645.80 g/mol, XLogP of 10.56, 6 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-(2-methylpropyl)-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane is sourced from PubChem (CID 19742184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).