2,8-dimethylnon-8-en-3-one

C11H20O — CID 114477246

IUPAC2,8-dimethylnon-8-en-3-one
SMILESC=C(C)CCCCC(=O)C(C)C
InChIInChI=1S/C11H20O/c1-9(2)7-5-6-8-11(12)10(3)4/h10H,1,5-8H2,2-4H3
InChIKeyLHGQFEDCUCBIFX-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.35
Rot. Bonds6

About 2,8-dimethylnon-8-en-3-one

2,8-dimethylnon-8-en-3-one (PubChem CID 114477246) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2,8-dimethylnon-8-en-3-one.

Molecular Properties

Compound Name2,8-dimethylnon-8-en-3-one
PubChem CID114477246
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2,8-dimethylnon-8-en-3-one
SMILESC=C(C)CCCCC(=O)C(C)C
InChIInChI=1S/C11H20O/c1-9(2)7-5-6-8-11(12)10(3)4/h10H,1,5-8H2,2-4H3
InChIKeyLHGQFEDCUCBIFX-UHFFFAOYSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2,14-dimethylpentadeca-1,14-diene
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2,7-dimethylocta-1,7-diene;hydron
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6-bromo-2-methylhexan-3-one
CID 12643721
18-methylnonadec-18-enoic acid
CID 123841309
2-methylheptan-3-one;hydrate
CID 176897102
12-methyltridecane-3,4,11-trione
CID 22953560
2,19-dimethylhenicosane-3,18-dione
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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethylnon-8-en-3-one?
The IUPAC name of 2,8-dimethylnon-8-en-3-one (CID 114477246) is 2,8-dimethylnon-8-en-3-one.
What is the SMILES notation for 2,8-dimethylnon-8-en-3-one?
The canonical SMILES for 2,8-dimethylnon-8-en-3-one is C=C(C)CCCCC(=O)C(C)C.
What is the InChIKey of 2,8-dimethylnon-8-en-3-one?
The InChIKey is LHGQFEDCUCBIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-9(2)7-5-6-8-11(12)10(3)4/h10H,1,5-8H2,2-4H3.
What are the key properties of 2,8-dimethylnon-8-en-3-one?
2,8-dimethylnon-8-en-3-one has a molecular weight of 168.28 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethylnon-8-en-3-one is sourced from PubChem (CID 114477246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).