(10S,14R)-10,14-bis(4-hydroxyphenyl)-7,16-dioxadispiro[5.2.59.26]hexadecane-8,12,15-trione

C26H26O7 — CID 11155150

IUPAC(10S,14R)-10,14-bis(4-hydroxyphenyl)-7,16-dioxadispiro[5.2.59.26]hexadecane-8,12,15-trione
SMILESO=C1C[C@H](c2ccc(O)cc2)C2(C(=O)OC3(CCCCC3)OC2=O)[C@H](c2ccc(O)cc2)C1
InChIInChI=1S/C26H26O7/c27-18-8-4-16(5-9-18)21-14-20(29)15-22(17-6-10-19(28)11-7-17)26(21)23(30)32-25(33-24(26)31)12-2-1-3-13-25/h4-11,21-22,27-28H,1-3,12-15H2/t21-,22+
InChIKeyUTBUUQDRAGENEP-SZPZYZBQSA-N
MW450.49 g/mol
LogP4.07
Rot. Bonds2

About (10S,14R)-10,14-bis(4-hydroxyphenyl)-7,16-dioxadispiro[5.2.59.26]hexadecane-8,12,15-trione

(10S,14R)-10,14-bis(4-hydroxyphenyl)-7,16-dioxadispiro[5.2.59.26]hexadecane-8,12,15-trione (PubChem CID 11155150) has the molecular formula C26H26O7 and a molecular weight of 450.49 g/mol. Its IUPAC name is (10S,14R)-10,14-bis(4-hydroxyphenyl)-7,16-dioxadispiro[5.2.59.26]hexadecane-8,12,15-trione.

Molecular Properties

Compound Name(10S,14R)-10,14-bis(4-hydroxyphenyl)-7,16-dioxadispiro[5.2.59.26]hexadecane-8,12,15-trione
PubChem CID11155150
Molecular FormulaC26H26O7
Molecular Weight450.49 g/mol
Exact Mass450.17
IUPAC Name(10S,14R)-10,14-bis(4-hydroxyphenyl)-7,16-dioxadispiro[5.2.59.26]hexadecane-8,12,15-trione
SMILESO=C1C[C@H](c2ccc(O)cc2)C2(C(=O)OC3(CCCCC3)OC2=O)[C@H](c2ccc(O)cc2)C1
InChIInChI=1S/C26H26O7/c27-18-8-4-16(5-9-18)21-14-20(29)15-22(17-6-10-19(28)11-7-17)26(21)23(30)32-25(33-24(26)31)12-2-1-3-13-25/h4-11,21-22,27-28H,1-3,12-15H2/t21-,22+
InChIKeyUTBUUQDRAGENEP-SZPZYZBQSA-N
XLogP4.07
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (10S,14R)-10,14-bis(4-hydroxyphenyl)-7,16-dioxadispiro[5.2.59.26]hexadecane-8,12,15-trione?
The IUPAC name of (10S,14R)-10,14-bis(4-hydroxyphenyl)-7,16-dioxadispiro[5.2.59.26]hexadecane-8,12,15-trione (CID 11155150) is (10S,14R)-10,14-bis(4-hydroxyphenyl)-7,16-dioxadispiro[5.2.59.26]hexadecane-8,12,15-trione.
What is the SMILES notation for (10S,14R)-10,14-bis(4-hydroxyphenyl)-7,16-dioxadispiro[5.2.59.26]hexadecane-8,12,15-trione?
The canonical SMILES for (10S,14R)-10,14-bis(4-hydroxyphenyl)-7,16-dioxadispiro[5.2.59.26]hexadecane-8,12,15-trione is O=C1C[C@H](c2ccc(O)cc2)C2(C(=O)OC3(CCCCC3)OC2=O)[C@H](c2ccc(O)cc2)C1.
What is the InChIKey of (10S,14R)-10,14-bis(4-hydroxyphenyl)-7,16-dioxadispiro[5.2.59.26]hexadecane-8,12,15-trione?
The InChIKey is UTBUUQDRAGENEP-SZPZYZBQSA-N. The full InChI is InChI=1S/C26H26O7/c27-18-8-4-16(5-9-18)21-14-20(29)15-22(17-6-10-19(28)11-7-17)26(21)23(30)32-25(33-24(26)31)12-2-1-3-13-25/h4-11,21-22,27-28H,1-3,12-15H2/t21-,22+.
What are the key properties of (10S,14R)-10,14-bis(4-hydroxyphenyl)-7,16-dioxadispiro[5.2.59.26]hexadecane-8,12,15-trione?
(10S,14R)-10,14-bis(4-hydroxyphenyl)-7,16-dioxadispiro[5.2.59.26]hexadecane-8,12,15-trione has a molecular weight of 450.49 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (10S,14R)-10,14-bis(4-hydroxyphenyl)-7,16-dioxadispiro[5.2.59.26]hexadecane-8,12,15-trione is sourced from PubChem (CID 11155150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).