2,2-dimethyl-5-(6-methylnona-2,6-dien-2-yl)furan-3-one

C16H24O2 — CID 72624061

IUPAC2,2-dimethyl-5-(6-methylnona-2,6-dien-2-yl)furan-3-one
SMILESCCC=C(C)CCC=C(C)C1=CC(=O)C(C)(C)O1
InChIInChI=1S/C16H24O2/c1-6-8-12(2)9-7-10-13(3)14-11-15(17)16(4,5)18-14/h8,10-11H,6-7,9H2,1-5H3
InChIKeyYTEXEHIDIGRAJO-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.33
Rot. Bonds5

About 2,2-dimethyl-5-(6-methylnona-2,6-dien-2-yl)furan-3-one

2,2-dimethyl-5-(6-methylnona-2,6-dien-2-yl)furan-3-one (PubChem CID 72624061) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2,2-dimethyl-5-(6-methylnona-2,6-dien-2-yl)furan-3-one.

Molecular Properties

Compound Name2,2-dimethyl-5-(6-methylnona-2,6-dien-2-yl)furan-3-one
PubChem CID72624061
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2,2-dimethyl-5-(6-methylnona-2,6-dien-2-yl)furan-3-one
SMILESCCC=C(C)CCC=C(C)C1=CC(=O)C(C)(C)O1
InChIInChI=1S/C16H24O2/c1-6-8-12(2)9-7-10-13(3)14-11-15(17)16(4,5)18-14/h8,10-11H,6-7,9H2,1-5H3
InChIKeyYTEXEHIDIGRAJO-UHFFFAOYSA-N
XLogP4.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.33
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 2,2-dimethyl-5-(6-methylnona-2,6-dien-2-yl)furan-3-one?
The IUPAC name of 2,2-dimethyl-5-(6-methylnona-2,6-dien-2-yl)furan-3-one (CID 72624061) is 2,2-dimethyl-5-(6-methylnona-2,6-dien-2-yl)furan-3-one.
What is the SMILES notation for 2,2-dimethyl-5-(6-methylnona-2,6-dien-2-yl)furan-3-one?
The canonical SMILES for 2,2-dimethyl-5-(6-methylnona-2,6-dien-2-yl)furan-3-one is CCC=C(C)CCC=C(C)C1=CC(=O)C(C)(C)O1.
What is the InChIKey of 2,2-dimethyl-5-(6-methylnona-2,6-dien-2-yl)furan-3-one?
The InChIKey is YTEXEHIDIGRAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-6-8-12(2)9-7-10-13(3)14-11-15(17)16(4,5)18-14/h8,10-11H,6-7,9H2,1-5H3.
What are the key properties of 2,2-dimethyl-5-(6-methylnona-2,6-dien-2-yl)furan-3-one?
2,2-dimethyl-5-(6-methylnona-2,6-dien-2-yl)furan-3-one has a molecular weight of 248.37 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(6-methylnona-2,6-dien-2-yl)furan-3-one is sourced from PubChem (CID 72624061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).