2-ethyl-2-methyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]furan-3-one

C17H26O2 — CID 142270232

IUPAC2-ethyl-2-methyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]furan-3-one
SMILESCC/C=C(\C)CC/C=C(\C)C1=CC(=O)C(C)(CC)O1
InChIInChI=1S/C17H26O2/c1-6-9-13(3)10-8-11-14(4)15-12-16(18)17(5,7-2)19-15/h9,11-12H,6-8,10H2,1-5H3/b13-9+,14-11+
InChIKeyGYSIVWJBOGJDSX-IJFRVEDASA-N
MW262.39 g/mol
LogP4.72
Rot. Bonds6

About 2-ethyl-2-methyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]furan-3-one

2-ethyl-2-methyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]furan-3-one (PubChem CID 142270232) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-ethyl-2-methyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]furan-3-one.

Molecular Properties

Compound Name2-ethyl-2-methyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]furan-3-one
PubChem CID142270232
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-ethyl-2-methyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]furan-3-one
SMILESCC/C=C(\C)CC/C=C(\C)C1=CC(=O)C(C)(CC)O1
InChIInChI=1S/C17H26O2/c1-6-9-13(3)10-8-11-14(4)15-12-16(18)17(5,7-2)19-15/h9,11-12H,6-8,10H2,1-5H3/b13-9+,14-11+
InChIKeyGYSIVWJBOGJDSX-IJFRVEDASA-N
XLogP4.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-ethyl-2-methyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]furan-3-one?
The IUPAC name of 2-ethyl-2-methyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]furan-3-one (CID 142270232) is 2-ethyl-2-methyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]furan-3-one.
What is the SMILES notation for 2-ethyl-2-methyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]furan-3-one?
The canonical SMILES for 2-ethyl-2-methyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]furan-3-one is CC/C=C(\C)CC/C=C(\C)C1=CC(=O)C(C)(CC)O1.
What is the InChIKey of 2-ethyl-2-methyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]furan-3-one?
The InChIKey is GYSIVWJBOGJDSX-IJFRVEDASA-N. The full InChI is InChI=1S/C17H26O2/c1-6-9-13(3)10-8-11-14(4)15-12-16(18)17(5,7-2)19-15/h9,11-12H,6-8,10H2,1-5H3/b13-9+,14-11+.
What are the key properties of 2-ethyl-2-methyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]furan-3-one?
2-ethyl-2-methyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]furan-3-one has a molecular weight of 262.39 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]furan-3-one is sourced from PubChem (CID 142270232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).