(7E,11E,20E,24E)-3,7,11,16,20,24-hexamethyl-1,14-dioxacyclohexacosa-7,11,20,24-tetraene-2,4,15,17-tetrone

C30H44O6 — CID 5367627

IUPAC(7E,11E,20E,24E)-3,7,11,16,20,24-hexamethyl-1,14-dioxacyclohexacosa-7,11,20,24-tetraene-2,4,15,17-tetrone
SMILESC/C1=C\COC(=O)C(C)C(=O)CC/C(C)=C/CC/C(C)=C/COC(=O)C(C)C(=O)CC/C(C)=C/CC1
InChIInChI=1S/C30H44O6/c1-21-9-7-11-23(3)17-19-36-30(34)26(6)28(32)16-14-22(2)10-8-12-24(4)18-20-35-29(33)25(5)27(31)15-13-21/h9-10,17-18,25-26H,7-8,11-16,19-20H2,1-6H3/b21-9+,22-10+,23-17+,24-18+
InChIKeySYCUEYWMXHTONF-SKDYRWGNSA-N
MW500.68 g/mol
LogP6.40
Rot. Bonds

About (7E,11E,20E,24E)-3,7,11,16,20,24-hexamethyl-1,14-dioxacyclohexacosa-7,11,20,24-tetraene-2,4,15,17-tetrone

(7E,11E,20E,24E)-3,7,11,16,20,24-hexamethyl-1,14-dioxacyclohexacosa-7,11,20,24-tetraene-2,4,15,17-tetrone (PubChem CID 5367627) has the molecular formula C30H44O6 and a molecular weight of 500.68 g/mol. Its IUPAC name is (7E,11E,20E,24E)-3,7,11,16,20,24-hexamethyl-1,14-dioxacyclohexacosa-7,11,20,24-tetraene-2,4,15,17-tetrone.

Molecular Properties

Compound Name(7E,11E,20E,24E)-3,7,11,16,20,24-hexamethyl-1,14-dioxacyclohexacosa-7,11,20,24-tetraene-2,4,15,17-tetrone
PubChem CID5367627
Molecular FormulaC30H44O6
Molecular Weight500.68 g/mol
Exact Mass500.31
IUPAC Name(7E,11E,20E,24E)-3,7,11,16,20,24-hexamethyl-1,14-dioxacyclohexacosa-7,11,20,24-tetraene-2,4,15,17-tetrone
SMILESC/C1=C\COC(=O)C(C)C(=O)CC/C(C)=C/CC/C(C)=C/COC(=O)C(C)C(=O)CC/C(C)=C/CC1
InChIInChI=1S/C30H44O6/c1-21-9-7-11-23(3)17-19-36-30(34)26(6)28(32)16-14-22(2)10-8-12-24(4)18-20-35-29(33)25(5)27(31)15-13-21/h9-10,17-18,25-26H,7-8,11-16,19-20H2,1-6H3/b21-9+,22-10+,23-17+,24-18+
InChIKeySYCUEYWMXHTONF-SKDYRWGNSA-N
XLogP6.40
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.68
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (7E,11E,20E,24E)-3,7,11,16,20,24-hexamethyl-1,14-dioxacyclohexacosa-7,11,20,24-tetraene-2,4,15,17-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7E,11E,20E,24E)-3,7,11,16,20,24-hexamethyl-1,14-dioxacyclohexacosa-7,11,20,24-tetraene-2,4,15,17-tetrone?
The IUPAC name of (7E,11E,20E,24E)-3,7,11,16,20,24-hexamethyl-1,14-dioxacyclohexacosa-7,11,20,24-tetraene-2,4,15,17-tetrone (CID 5367627) is (7E,11E,20E,24E)-3,7,11,16,20,24-hexamethyl-1,14-dioxacyclohexacosa-7,11,20,24-tetraene-2,4,15,17-tetrone.
What is the SMILES notation for (7E,11E,20E,24E)-3,7,11,16,20,24-hexamethyl-1,14-dioxacyclohexacosa-7,11,20,24-tetraene-2,4,15,17-tetrone?
The canonical SMILES for (7E,11E,20E,24E)-3,7,11,16,20,24-hexamethyl-1,14-dioxacyclohexacosa-7,11,20,24-tetraene-2,4,15,17-tetrone is C/C1=C\COC(=O)C(C)C(=O)CC/C(C)=C/CC/C(C)=C/COC(=O)C(C)C(=O)CC/C(C)=C/CC1.
What is the InChIKey of (7E,11E,20E,24E)-3,7,11,16,20,24-hexamethyl-1,14-dioxacyclohexacosa-7,11,20,24-tetraene-2,4,15,17-tetrone?
The InChIKey is SYCUEYWMXHTONF-SKDYRWGNSA-N. The full InChI is InChI=1S/C30H44O6/c1-21-9-7-11-23(3)17-19-36-30(34)26(6)28(32)16-14-22(2)10-8-12-24(4)18-20-35-29(33)25(5)27(31)15-13-21/h9-10,17-18,25-26H,7-8,11-16,19-20H2,1-6H3/b21-9+,22-10+,23-17+,24-18+.
What are the key properties of (7E,11E,20E,24E)-3,7,11,16,20,24-hexamethyl-1,14-dioxacyclohexacosa-7,11,20,24-tetraene-2,4,15,17-tetrone?
(7E,11E,20E,24E)-3,7,11,16,20,24-hexamethyl-1,14-dioxacyclohexacosa-7,11,20,24-tetraene-2,4,15,17-tetrone has a molecular weight of 500.68 g/mol, XLogP of 6.40, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,11E,20E,24E)-3,7,11,16,20,24-hexamethyl-1,14-dioxacyclohexacosa-7,11,20,24-tetraene-2,4,15,17-tetrone is sourced from PubChem (CID 5367627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).