5,8-dimethylnon-7-en-4-one

C11H20O — CID 118393642

IUPAC5,8-dimethylnon-7-en-4-one
SMILESCCCC(=O)C(C)CC=C(C)C
InChIInChI=1S/C11H20O/c1-5-6-11(12)10(4)8-7-9(2)3/h7,10H,5-6,8H2,1-4H3
InChIKeyVVWKUGGSJVYEPC-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.35
Rot. Bonds5

About 5,8-dimethylnon-7-en-4-one

5,8-dimethylnon-7-en-4-one (PubChem CID 118393642) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 5,8-dimethylnon-7-en-4-one.

Molecular Properties

Compound Name5,8-dimethylnon-7-en-4-one
PubChem CID118393642
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name5,8-dimethylnon-7-en-4-one
SMILESCCCC(=O)C(C)CC=C(C)C
InChIInChI=1S/C11H20O/c1-5-6-11(12)10(4)8-7-9(2)3/h7,10H,5-6,8H2,1-4H3
InChIKeyVVWKUGGSJVYEPC-UHFFFAOYSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5R)-2,5,8-trimethylnon-7-en-4-one
CID 15382477
1-amino-2-methylhexan-3-one
CID 116564408
3-methyl-4-oxoheptanoic acid
CID 19914762
diiminoazanium;3-methylheptan-4-one
CID 175383752
3-methyl-4-oxoheptanamide
CID 57153231
ethyl 2-formamido-5-methylhex-4-enoate
CID 10465363
ethyl (2Z)-3,4,7-trimethylocta-2,6-dienoate
CID 14526716
3,4-dimethyloctane-2,5-dione
CID 59801697
2,3-dimethylheptan-4-one
CID 19867142
(3R)-2,3-dimethylheptan-4-one
CID 121285503
(2Z,4S)-3,4,7-trimethylocta-2,6-dien-1-ol
CID 129379674
5-methyl-2-propylhex-4-enal
CID 12923922

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethylnon-7-en-4-one?
The IUPAC name of 5,8-dimethylnon-7-en-4-one (CID 118393642) is 5,8-dimethylnon-7-en-4-one.
What is the SMILES notation for 5,8-dimethylnon-7-en-4-one?
The canonical SMILES for 5,8-dimethylnon-7-en-4-one is CCCC(=O)C(C)CC=C(C)C.
What is the InChIKey of 5,8-dimethylnon-7-en-4-one?
The InChIKey is VVWKUGGSJVYEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-5-6-11(12)10(4)8-7-9(2)3/h7,10H,5-6,8H2,1-4H3.
What are the key properties of 5,8-dimethylnon-7-en-4-one?
5,8-dimethylnon-7-en-4-one has a molecular weight of 168.28 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethylnon-7-en-4-one is sourced from PubChem (CID 118393642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).