3-methyl-3-[(2E,6Z)-nona-2,6-dienyl]pentane-2,4-dione

C15H24O2 — CID 134968539

IUPAC3-methyl-3-[(2E,6Z)-nona-2,6-dienyl]pentane-2,4-dione
SMILESCC/C=C\CC/C=C/CC(C)(C(C)=O)C(C)=O
InChIInChI=1S/C15H24O2/c1-5-6-7-8-9-10-11-12-15(4,13(2)16)14(3)17/h6-7,10-11H,5,8-9,12H2,1-4H3/b7-6-,11-10+
InChIKeyRDYJBLZDVMWLPT-JFEAUALZSA-N
MW236.35 g/mol
LogP3.86
Rot. Bonds8

About 3-methyl-3-[(2E,6Z)-nona-2,6-dienyl]pentane-2,4-dione

3-methyl-3-[(2E,6Z)-nona-2,6-dienyl]pentane-2,4-dione (PubChem CID 134968539) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 3-methyl-3-[(2E,6Z)-nona-2,6-dienyl]pentane-2,4-dione.

Molecular Properties

Compound Name3-methyl-3-[(2E,6Z)-nona-2,6-dienyl]pentane-2,4-dione
PubChem CID134968539
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name3-methyl-3-[(2E,6Z)-nona-2,6-dienyl]pentane-2,4-dione
SMILESCC/C=C\CC/C=C/CC(C)(C(C)=O)C(C)=O
InChIInChI=1S/C15H24O2/c1-5-6-7-8-9-10-11-12-15(4,13(2)16)14(3)17/h6-7,10-11H,5,8-9,12H2,1-4H3/b7-6-,11-10+
InChIKeyRDYJBLZDVMWLPT-JFEAUALZSA-N
XLogP3.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-Dimethylhex-5-EN-2-one
CID 12604173
(5E)-2,3,3-trimethylhepta-1,5-dien-4-one
CID 138560193
2,4-Pentanedione, 3,3-di-2-butenyl-
CID 5363714
3,3-Di-2-propen-1-yl-2,4-pentanedione
CID 11041319
E-Dec-5-ene-2,9-dione
CID 14322849
5-Hepten-2-one, 6-methyl-3-(2-propen-1-yl)-
CID 102862
3-[(E)-but-2-enyl]pentane-2,4-dione
CID 11116266
3-[(E)-pent-3-en-2-yl]pentane-2,4-dione
CID 11745028
3-[(2E)-3,7-dimethylocta-2,6-dienyl]pentane-2,4-dione
CID 13111911
(5E)-7,7-dimethyl-5-octen-2-one
CID 13226645
3-Crotylpentane-2,4-dione
CID 54474830
3-Methyl-5-heptene-2-one
CID 56633641

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(2E,6Z)-nona-2,6-dienyl]pentane-2,4-dione?
The IUPAC name of 3-methyl-3-[(2E,6Z)-nona-2,6-dienyl]pentane-2,4-dione (CID 134968539) is 3-methyl-3-[(2E,6Z)-nona-2,6-dienyl]pentane-2,4-dione.
What is the SMILES notation for 3-methyl-3-[(2E,6Z)-nona-2,6-dienyl]pentane-2,4-dione?
The canonical SMILES for 3-methyl-3-[(2E,6Z)-nona-2,6-dienyl]pentane-2,4-dione is CC/C=C\CC/C=C/CC(C)(C(C)=O)C(C)=O.
What is the InChIKey of 3-methyl-3-[(2E,6Z)-nona-2,6-dienyl]pentane-2,4-dione?
The InChIKey is RDYJBLZDVMWLPT-JFEAUALZSA-N. The full InChI is InChI=1S/C15H24O2/c1-5-6-7-8-9-10-11-12-15(4,13(2)16)14(3)17/h6-7,10-11H,5,8-9,12H2,1-4H3/b7-6-,11-10+.
What are the key properties of 3-methyl-3-[(2E,6Z)-nona-2,6-dienyl]pentane-2,4-dione?
3-methyl-3-[(2E,6Z)-nona-2,6-dienyl]pentane-2,4-dione has a molecular weight of 236.35 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(2E,6Z)-nona-2,6-dienyl]pentane-2,4-dione is sourced from PubChem (CID 134968539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).