5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione

C19H32O3 — CID 68611964

IUPAC5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione
SMILESCC1CCCC=CCCOC(=O)CCC(C)(C)C(=O)C(C)C1
InChIInChI=1S/C19H32O3/c1-15-10-8-6-5-7-9-13-22-17(20)11-12-19(3,4)18(21)16(2)14-15/h5,7,15-16H,6,8-14H2,1-4H3
InChIKeyIVMZNDSQACYUTR-UHFFFAOYSA-N
MW308.46 g/mol
LogP4.70
Rot. Bonds

About 5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione

5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione (PubChem CID 68611964) has the molecular formula C19H32O3 and a molecular weight of 308.46 g/mol. Its IUPAC name is 5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione.

Molecular Properties

Compound Name5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione
PubChem CID68611964
Molecular FormulaC19H32O3
Molecular Weight308.46 g/mol
Exact Mass308.24
IUPAC Name5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione
SMILESCC1CCCC=CCCOC(=O)CCC(C)(C)C(=O)C(C)C1
InChIInChI=1S/C19H32O3/c1-15-10-8-6-5-7-9-13-22-17(20)11-12-19(3,4)18(21)16(2)14-15/h5,7,15-16H,6,8-14H2,1-4H3
InChIKeyIVMZNDSQACYUTR-UHFFFAOYSA-N
XLogP4.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione?
The IUPAC name of 5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione (CID 68611964) is 5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione.
What is the SMILES notation for 5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione?
The canonical SMILES for 5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione is CC1CCCC=CCCOC(=O)CCC(C)(C)C(=O)C(C)C1.
What is the InChIKey of 5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione?
The InChIKey is IVMZNDSQACYUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O3/c1-15-10-8-6-5-7-9-13-22-17(20)11-12-19(3,4)18(21)16(2)14-15/h5,7,15-16H,6,8-14H2,1-4H3.
What are the key properties of 5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione?
5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione has a molecular weight of 308.46 g/mol, XLogP of 4.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione is sourced from PubChem (CID 68611964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).