8-methyl-5-(3-methylbut-2-enyl)non-7-ene-2,4-dione

C15H24O2 — CID 100956080

IUPAC8-methyl-5-(3-methylbut-2-enyl)non-7-ene-2,4-dione
SMILESCC(=O)CC(=O)C(CC=C(C)C)CC=C(C)C
InChIInChI=1S/C15H24O2/c1-11(2)6-8-14(9-7-12(3)4)15(17)10-13(5)16/h6-7,14H,8-10H2,1-5H3
InChIKeyWQSWAFQLTSCFJK-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.86
Rot. Bonds7

About 8-methyl-5-(3-methylbut-2-enyl)non-7-ene-2,4-dione

8-methyl-5-(3-methylbut-2-enyl)non-7-ene-2,4-dione (PubChem CID 100956080) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 8-methyl-5-(3-methylbut-2-enyl)non-7-ene-2,4-dione.

Molecular Properties

Compound Name8-methyl-5-(3-methylbut-2-enyl)non-7-ene-2,4-dione
PubChem CID100956080
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name8-methyl-5-(3-methylbut-2-enyl)non-7-ene-2,4-dione
SMILESCC(=O)CC(=O)C(CC=C(C)C)CC=C(C)C
InChIInChI=1S/C15H24O2/c1-11(2)6-8-14(9-7-12(3)4)15(17)10-13(5)16/h6-7,14H,8-10H2,1-5H3
InChIKeyWQSWAFQLTSCFJK-UHFFFAOYSA-N
XLogP3.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 8-methyl-5-(3-methylbut-2-enyl)non-7-ene-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-oxobutanoyl)propanedial
CID 57284293
2,8-dimethyl-5-(3-methylbut-2-enyl)nona-2,7-diene
CID 58242815
(5R)-2,5,8-trimethylnon-7-en-4-one
CID 15382477
copper 5-methylhexane-2,4-dione
CID 54598918
5,8-dimethylnon-7-en-4-one
CID 118393642
Lithium pentane-2,4-dione
CID 86735745
2-chloro-5-methylhex-4-enoic acid
CID 88706204
(2E)-4-ethyl-3,7-dimethylocta-2,6-dienal
CID 21494683
5-ethylpentadecane-2,4-dione
CID 11715963
3-oxobutanoic acid
CID 96
5-amino-6-hydroxyhexane-2,4-dione;azane;tetrahydrochloride
CID 173221930
3-methylbut-2-enyl 3-oxobutanoate
CID 4173429

Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-(3-methylbut-2-enyl)non-7-ene-2,4-dione?
The IUPAC name of 8-methyl-5-(3-methylbut-2-enyl)non-7-ene-2,4-dione (CID 100956080) is 8-methyl-5-(3-methylbut-2-enyl)non-7-ene-2,4-dione.
What is the SMILES notation for 8-methyl-5-(3-methylbut-2-enyl)non-7-ene-2,4-dione?
The canonical SMILES for 8-methyl-5-(3-methylbut-2-enyl)non-7-ene-2,4-dione is CC(=O)CC(=O)C(CC=C(C)C)CC=C(C)C.
What is the InChIKey of 8-methyl-5-(3-methylbut-2-enyl)non-7-ene-2,4-dione?
The InChIKey is WQSWAFQLTSCFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-11(2)6-8-14(9-7-12(3)4)15(17)10-13(5)16/h6-7,14H,8-10H2,1-5H3.
What are the key properties of 8-methyl-5-(3-methylbut-2-enyl)non-7-ene-2,4-dione?
8-methyl-5-(3-methylbut-2-enyl)non-7-ene-2,4-dione has a molecular weight of 236.35 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-(3-methylbut-2-enyl)non-7-ene-2,4-dione is sourced from PubChem (CID 100956080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).