11,15-ditert-butyl-8-hydroxy-4,13-dimethyl-2-propyl-7,9-dioxa-8-phosphatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaene

C26H37O3P — CID 154186362

IUPAC11,15-ditert-butyl-8-hydroxy-4,13-dimethyl-2-propyl-7,9-dioxa-8-phosphatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaene
SMILESCCCC1c2cc(C(C)(C)C)c(cc2C)OP(O)Oc2cc(C)c1cc2C(C)(C)C
InChIInChI=1S/C26H37O3P/c1-10-11-18-19-14-21(25(4,5)6)23(12-16(19)2)28-30(27)29-24-13-17(3)20(18)15-22(24)26(7,8)9/h12-15,18,27H,10-11H2,1-9H3
InChIKeyHRZITZCEQDAPPC-UHFFFAOYSA-N
MW428.55 g/mol
LogP7.82
Rot. Bonds2

About 11,15-ditert-butyl-8-hydroxy-4,13-dimethyl-2-propyl-7,9-dioxa-8-phosphatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaene

11,15-ditert-butyl-8-hydroxy-4,13-dimethyl-2-propyl-7,9-dioxa-8-phosphatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaene (PubChem CID 154186362) has the molecular formula C26H37O3P and a molecular weight of 428.55 g/mol. Its IUPAC name is 11,15-ditert-butyl-8-hydroxy-4,13-dimethyl-2-propyl-7,9-dioxa-8-phosphatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaene.

Molecular Properties

Compound Name11,15-ditert-butyl-8-hydroxy-4,13-dimethyl-2-propyl-7,9-dioxa-8-phosphatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaene
PubChem CID154186362
Molecular FormulaC26H37O3P
Molecular Weight428.55 g/mol
Exact Mass428.25
IUPAC Name11,15-ditert-butyl-8-hydroxy-4,13-dimethyl-2-propyl-7,9-dioxa-8-phosphatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaene
SMILESCCCC1c2cc(C(C)(C)C)c(cc2C)OP(O)Oc2cc(C)c1cc2C(C)(C)C
InChIInChI=1S/C26H37O3P/c1-10-11-18-19-14-21(25(4,5)6)23(12-16(19)2)28-30(27)29-24-13-17(3)20(18)15-22(24)26(7,8)9/h12-15,18,27H,10-11H2,1-9H3
InChIKeyHRZITZCEQDAPPC-UHFFFAOYSA-N
XLogP7.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.55
LogP ≤ 57.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 11,15-ditert-butyl-8-hydroxy-4,13-dimethyl-2-propyl-7,9-dioxa-8-phosphatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11,15-ditert-butyl-8-hydroxy-4,13-dimethyl-2-propyl-7,9-dioxa-8-phosphatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaene?
The IUPAC name of 11,15-ditert-butyl-8-hydroxy-4,13-dimethyl-2-propyl-7,9-dioxa-8-phosphatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaene (CID 154186362) is 11,15-ditert-butyl-8-hydroxy-4,13-dimethyl-2-propyl-7,9-dioxa-8-phosphatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaene.
What is the SMILES notation for 11,15-ditert-butyl-8-hydroxy-4,13-dimethyl-2-propyl-7,9-dioxa-8-phosphatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaene?
The canonical SMILES for 11,15-ditert-butyl-8-hydroxy-4,13-dimethyl-2-propyl-7,9-dioxa-8-phosphatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaene is CCCC1c2cc(C(C)(C)C)c(cc2C)OP(O)Oc2cc(C)c1cc2C(C)(C)C.
What is the InChIKey of 11,15-ditert-butyl-8-hydroxy-4,13-dimethyl-2-propyl-7,9-dioxa-8-phosphatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaene?
The InChIKey is HRZITZCEQDAPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37O3P/c1-10-11-18-19-14-21(25(4,5)6)23(12-16(19)2)28-30(27)29-24-13-17(3)20(18)15-22(24)26(7,8)9/h12-15,18,27H,10-11H2,1-9H3.
What are the key properties of 11,15-ditert-butyl-8-hydroxy-4,13-dimethyl-2-propyl-7,9-dioxa-8-phosphatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaene?
11,15-ditert-butyl-8-hydroxy-4,13-dimethyl-2-propyl-7,9-dioxa-8-phosphatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaene has a molecular weight of 428.55 g/mol, XLogP of 7.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11,15-ditert-butyl-8-hydroxy-4,13-dimethyl-2-propyl-7,9-dioxa-8-phosphatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaene is sourced from PubChem (CID 154186362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).