2,2,14,14-tetramethyl-7,9,19,21-tetraoxapentacyclo[20.2.2.23,6.210,13.215,18]dotriaconta-1(24),3(32),4,6(31),10(30),11,13(29),15,17,22,25,27-dodecaene-8,20-dione

C32H28O6 — CID 10864115

IUPAC2,2,14,14-tetramethyl-7,9,19,21-tetraoxapentacyclo[20.2.2.23,6.210,13.215,18]dotriaconta-1(24),3(32),4,6(31),10(30),11,13(29),15,17,22,25,27-dodecaene-8,20-dione
SMILESCC1(C)c2ccc(cc2)OC(=O)Oc2ccc(cc2)C(C)(C)c2ccc(cc2)OC(=O)Oc2ccc1cc2
InChIInChI=1S/C32H28O6/c1-31(2)21-5-13-25(14-6-21)35-29(33)37-27-17-9-23(10-18-27)32(3,4)24-11-19-28(20-12-24)38-30(34)36-26-15-7-22(31)8-16-26/h5-20H,1-4H3
InChIKeyNTDNLQFWYYSYAY-UHFFFAOYSA-N
MW508.57 g/mol
LogP7.81
Rot. Bonds

About 2,2,14,14-tetramethyl-7,9,19,21-tetraoxapentacyclo[20.2.2.23,6.210,13.215,18]dotriaconta-1(24),3(32),4,6(31),10(30),11,13(29),15,17,22,25,27-dodecaene-8,20-dione

2,2,14,14-tetramethyl-7,9,19,21-tetraoxapentacyclo[20.2.2.23,6.210,13.215,18]dotriaconta-1(24),3(32),4,6(31),10(30),11,13(29),15,17,22,25,27-dodecaene-8,20-dione (PubChem CID 10864115) has the molecular formula C32H28O6 and a molecular weight of 508.57 g/mol. Its IUPAC name is 2,2,14,14-tetramethyl-7,9,19,21-tetraoxapentacyclo[20.2.2.23,6.210,13.215,18]dotriaconta-1(24),3(32),4,6(31),10(30),11,13(29),15,17,22,25,27-dodecaene-8,20-dione.

Molecular Properties

Compound Name2,2,14,14-tetramethyl-7,9,19,21-tetraoxapentacyclo[20.2.2.23,6.210,13.215,18]dotriaconta-1(24),3(32),4,6(31),10(30),11,13(29),15,17,22,25,27-dodecaene-8,20-dione
PubChem CID10864115
Molecular FormulaC32H28O6
Molecular Weight508.57 g/mol
Exact Mass508.19
IUPAC Name2,2,14,14-tetramethyl-7,9,19,21-tetraoxapentacyclo[20.2.2.23,6.210,13.215,18]dotriaconta-1(24),3(32),4,6(31),10(30),11,13(29),15,17,22,25,27-dodecaene-8,20-dione
SMILESCC1(C)c2ccc(cc2)OC(=O)Oc2ccc(cc2)C(C)(C)c2ccc(cc2)OC(=O)Oc2ccc1cc2
InChIInChI=1S/C32H28O6/c1-31(2)21-5-13-25(14-6-21)35-29(33)37-27-17-9-23(10-18-27)32(3,4)24-11-19-28(20-12-24)38-30(34)36-26-15-7-22(31)8-16-26/h5-20H,1-4H3
InChIKeyNTDNLQFWYYSYAY-UHFFFAOYSA-N
XLogP7.81
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.57
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,2,14,14-tetramethyl-7,9,19,21-tetraoxapentacyclo[20.2.2.23,6.210,13.215,18]dotriaconta-1(24),3(32),4,6(31),10(30),11,13(29),15,17,22,25,27-dodecaene-8,20-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,14,14-tetramethyl-7,9,19,21-tetraoxapentacyclo[20.2.2.23,6.210,13.215,18]dotriaconta-1(24),3(32),4,6(31),10(30),11,13(29),15,17,22,25,27-dodecaene-8,20-dione?
The IUPAC name of 2,2,14,14-tetramethyl-7,9,19,21-tetraoxapentacyclo[20.2.2.23,6.210,13.215,18]dotriaconta-1(24),3(32),4,6(31),10(30),11,13(29),15,17,22,25,27-dodecaene-8,20-dione (CID 10864115) is 2,2,14,14-tetramethyl-7,9,19,21-tetraoxapentacyclo[20.2.2.23,6.210,13.215,18]dotriaconta-1(24),3(32),4,6(31),10(30),11,13(29),15,17,22,25,27-dodecaene-8,20-dione.
What is the SMILES notation for 2,2,14,14-tetramethyl-7,9,19,21-tetraoxapentacyclo[20.2.2.23,6.210,13.215,18]dotriaconta-1(24),3(32),4,6(31),10(30),11,13(29),15,17,22,25,27-dodecaene-8,20-dione?
The canonical SMILES for 2,2,14,14-tetramethyl-7,9,19,21-tetraoxapentacyclo[20.2.2.23,6.210,13.215,18]dotriaconta-1(24),3(32),4,6(31),10(30),11,13(29),15,17,22,25,27-dodecaene-8,20-dione is CC1(C)c2ccc(cc2)OC(=O)Oc2ccc(cc2)C(C)(C)c2ccc(cc2)OC(=O)Oc2ccc1cc2.
What is the InChIKey of 2,2,14,14-tetramethyl-7,9,19,21-tetraoxapentacyclo[20.2.2.23,6.210,13.215,18]dotriaconta-1(24),3(32),4,6(31),10(30),11,13(29),15,17,22,25,27-dodecaene-8,20-dione?
The InChIKey is NTDNLQFWYYSYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28O6/c1-31(2)21-5-13-25(14-6-21)35-29(33)37-27-17-9-23(10-18-27)32(3,4)24-11-19-28(20-12-24)38-30(34)36-26-15-7-22(31)8-16-26/h5-20H,1-4H3.
What are the key properties of 2,2,14,14-tetramethyl-7,9,19,21-tetraoxapentacyclo[20.2.2.23,6.210,13.215,18]dotriaconta-1(24),3(32),4,6(31),10(30),11,13(29),15,17,22,25,27-dodecaene-8,20-dione?
2,2,14,14-tetramethyl-7,9,19,21-tetraoxapentacyclo[20.2.2.23,6.210,13.215,18]dotriaconta-1(24),3(32),4,6(31),10(30),11,13(29),15,17,22,25,27-dodecaene-8,20-dione has a molecular weight of 508.57 g/mol, XLogP of 7.81, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,14,14-tetramethyl-7,9,19,21-tetraoxapentacyclo[20.2.2.23,6.210,13.215,18]dotriaconta-1(24),3(32),4,6(31),10(30),11,13(29),15,17,22,25,27-dodecaene-8,20-dione is sourced from PubChem (CID 10864115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).