2,8-bis(2,6-ditert-butyl-4-methylphenoxy)-1-dodecyl-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane

C46H77NO5P2 — CID 19742192

IUPAC2,8-bis(2,6-ditert-butyl-4-methylphenoxy)-1-dodecyl-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane
SMILESCCCCCCCCCCCCN1P(Oc2c(C(C)(C)C)cc(C)cc2C(C)(C)C)OCC12COP(Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C)OC2
InChIInChI=1S/C46H77NO5P2/c1-16-17-18-19-20-21-22-23-24-25-26-47-46(31-48-53(47)51-40-36(42(4,5)6)27-34(2)28-37(40)43(7,8)9)32-49-54(50-33-46)52-41-38(44(10,11)12)29-35(3)30-39(41)45(13,14)15/h27-30H,16-26,31-33H2,1-15H3
InChIKeyACXXSWZZKCNIJO-UHFFFAOYSA-N
MW786.07 g/mol
LogP14.44
Rot. Bonds15

About 2,8-bis(2,6-ditert-butyl-4-methylphenoxy)-1-dodecyl-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane

2,8-bis(2,6-ditert-butyl-4-methylphenoxy)-1-dodecyl-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane (PubChem CID 19742192) has the molecular formula C46H77NO5P2 and a molecular weight of 786.07 g/mol. Its IUPAC name is 2,8-bis(2,6-ditert-butyl-4-methylphenoxy)-1-dodecyl-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane.

Molecular Properties

Compound Name2,8-bis(2,6-ditert-butyl-4-methylphenoxy)-1-dodecyl-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane
PubChem CID19742192
Molecular FormulaC46H77NO5P2
Molecular Weight786.07 g/mol
Exact Mass785.53
IUPAC Name2,8-bis(2,6-ditert-butyl-4-methylphenoxy)-1-dodecyl-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane
SMILESCCCCCCCCCCCCN1P(Oc2c(C(C)(C)C)cc(C)cc2C(C)(C)C)OCC12COP(Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C)OC2
InChIInChI=1S/C46H77NO5P2/c1-16-17-18-19-20-21-22-23-24-25-26-47-46(31-48-53(47)51-40-36(42(4,5)6)27-34(2)28-37(40)43(7,8)9)32-49-54(50-33-46)52-41-38(44(10,11)12)29-35(3)30-39(41)45(13,14)15/h27-30H,16-26,31-33H2,1-15H3
InChIKeyACXXSWZZKCNIJO-UHFFFAOYSA-N
XLogP14.44
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.07
LogP ≤ 514.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,8-bis(2,6-ditert-butyl-4-methylphenoxy)-1-dodecyl-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane with MolForge

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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-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
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
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

Frequently Asked Questions

What is the IUPAC name of 2,8-bis(2,6-ditert-butyl-4-methylphenoxy)-1-dodecyl-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane?
The IUPAC name of 2,8-bis(2,6-ditert-butyl-4-methylphenoxy)-1-dodecyl-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane (CID 19742192) is 2,8-bis(2,6-ditert-butyl-4-methylphenoxy)-1-dodecyl-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane.
What is the SMILES notation for 2,8-bis(2,6-ditert-butyl-4-methylphenoxy)-1-dodecyl-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane?
The canonical SMILES for 2,8-bis(2,6-ditert-butyl-4-methylphenoxy)-1-dodecyl-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane is CCCCCCCCCCCCN1P(Oc2c(C(C)(C)C)cc(C)cc2C(C)(C)C)OCC12COP(Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C)OC2.
What is the InChIKey of 2,8-bis(2,6-ditert-butyl-4-methylphenoxy)-1-dodecyl-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane?
The InChIKey is ACXXSWZZKCNIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H77NO5P2/c1-16-17-18-19-20-21-22-23-24-25-26-47-46(31-48-53(47)51-40-36(42(4,5)6)27-34(2)28-37(40)43(7,8)9)32-49-54(50-33-46)52-41-38(44(10,11)12)29-35(3)30-39(41)45(13,14)15/h27-30H,16-26,31-33H2,1-15H3.
What are the key properties of 2,8-bis(2,6-ditert-butyl-4-methylphenoxy)-1-dodecyl-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane?
2,8-bis(2,6-ditert-butyl-4-methylphenoxy)-1-dodecyl-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane has a molecular weight of 786.07 g/mol, XLogP of 14.44, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-bis(2,6-ditert-butyl-4-methylphenoxy)-1-dodecyl-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane is sourced from PubChem (CID 19742192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).