5-anilino-3,3,8,8-tetramethyl-1,4,6,9-tetraoxa-5lambda5-phosphaspiro[4.4]nonane-2,7-dione

C14H18NO6P — CID 13403272

IUPAC5-anilino-3,3,8,8-tetramethyl-1,4,6,9-tetraoxa-5lambda5-phosphaspiro[4.4]nonane-2,7-dione
SMILESCC1(C)OP2(Nc3ccccc3)(OC1=O)OC(=O)C(C)(C)O2
InChIInChI=1S/C14H18NO6P/c1-13(2)11(16)18-22(20-13,15-10-8-6-5-7-9-10)19-12(17)14(3,4)21-22/h5-9,15H,1-4H3
InChIKeyPRVQDNIGBLMTCD-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.93
Rot. Bonds2

About 5-anilino-3,3,8,8-tetramethyl-1,4,6,9-tetraoxa-5lambda5-phosphaspiro[4.4]nonane-2,7-dione

5-anilino-3,3,8,8-tetramethyl-1,4,6,9-tetraoxa-5lambda5-phosphaspiro[4.4]nonane-2,7-dione (PubChem CID 13403272) has the molecular formula C14H18NO6P and a molecular weight of 327.27 g/mol. Its IUPAC name is 5-anilino-3,3,8,8-tetramethyl-1,4,6,9-tetraoxa-5lambda5-phosphaspiro[4.4]nonane-2,7-dione.

Molecular Properties

Compound Name5-anilino-3,3,8,8-tetramethyl-1,4,6,9-tetraoxa-5lambda5-phosphaspiro[4.4]nonane-2,7-dione
PubChem CID13403272
Molecular FormulaC14H18NO6P
Molecular Weight327.27 g/mol
Exact Mass327.09
IUPAC Name5-anilino-3,3,8,8-tetramethyl-1,4,6,9-tetraoxa-5lambda5-phosphaspiro[4.4]nonane-2,7-dione
SMILESCC1(C)OP2(Nc3ccccc3)(OC1=O)OC(=O)C(C)(C)O2
InChIInChI=1S/C14H18NO6P/c1-13(2)11(16)18-22(20-13,15-10-8-6-5-7-9-10)19-12(17)14(3,4)21-22/h5-9,15H,1-4H3
InChIKeyPRVQDNIGBLMTCD-UHFFFAOYSA-N
XLogP2.93
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-anilino-3,3,8,8-tetramethyl-1,4,6,9-tetraoxa-5lambda5-phosphaspiro[4.4]nonane-2,7-dione?
The IUPAC name of 5-anilino-3,3,8,8-tetramethyl-1,4,6,9-tetraoxa-5lambda5-phosphaspiro[4.4]nonane-2,7-dione (CID 13403272) is 5-anilino-3,3,8,8-tetramethyl-1,4,6,9-tetraoxa-5lambda5-phosphaspiro[4.4]nonane-2,7-dione.
What is the SMILES notation for 5-anilino-3,3,8,8-tetramethyl-1,4,6,9-tetraoxa-5lambda5-phosphaspiro[4.4]nonane-2,7-dione?
The canonical SMILES for 5-anilino-3,3,8,8-tetramethyl-1,4,6,9-tetraoxa-5lambda5-phosphaspiro[4.4]nonane-2,7-dione is CC1(C)OP2(Nc3ccccc3)(OC1=O)OC(=O)C(C)(C)O2.
What is the InChIKey of 5-anilino-3,3,8,8-tetramethyl-1,4,6,9-tetraoxa-5lambda5-phosphaspiro[4.4]nonane-2,7-dione?
The InChIKey is PRVQDNIGBLMTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18NO6P/c1-13(2)11(16)18-22(20-13,15-10-8-6-5-7-9-10)19-12(17)14(3,4)21-22/h5-9,15H,1-4H3.
What are the key properties of 5-anilino-3,3,8,8-tetramethyl-1,4,6,9-tetraoxa-5lambda5-phosphaspiro[4.4]nonane-2,7-dione?
5-anilino-3,3,8,8-tetramethyl-1,4,6,9-tetraoxa-5lambda5-phosphaspiro[4.4]nonane-2,7-dione has a molecular weight of 327.27 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-3,3,8,8-tetramethyl-1,4,6,9-tetraoxa-5lambda5-phosphaspiro[4.4]nonane-2,7-dione is sourced from PubChem (CID 13403272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).