6,10-dimethylundeca-1,8-dien-4-one

C13H22O — CID 71331360

IUPAC6,10-dimethylundeca-1,8-dien-4-one
SMILESC=CCC(=O)CC(C)CC=CC(C)C
InChIInChI=1S/C13H22O/c1-5-7-13(14)10-12(4)9-6-8-11(2)3/h5-6,8,11-12H,1,7,9-10H2,2-4H3
InChIKeyOBZHRFFLMCGMJF-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.76
Rot. Bonds7

About 6,10-dimethylundeca-1,8-dien-4-one

6,10-dimethylundeca-1,8-dien-4-one (PubChem CID 71331360) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 6,10-dimethylundeca-1,8-dien-4-one.

Molecular Properties

Compound Name6,10-dimethylundeca-1,8-dien-4-one
PubChem CID71331360
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name6,10-dimethylundeca-1,8-dien-4-one
SMILESC=CCC(=O)CC(C)CC=CC(C)C
InChIInChI=1S/C13H22O/c1-5-7-13(14)10-12(4)9-6-8-11(2)3/h5-6,8,11-12H,1,7,9-10H2,2-4H3
InChIKeyOBZHRFFLMCGMJF-UHFFFAOYSA-N
XLogP3.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.76
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

6-methylhept-4-en-2-one
CID 57170951
4-methyloct-6-en-2-one
CID 54170853
7-methyl-3-oxooct-5-enal
CID 90701837
pent-4-en-2-ol;urea
CID 88650571
2,7-dimethyloct-5-en-3-one
CID 76678559
(E)-2,6-dimethylhept-3-ene
CID 5364654
nona-1,8-diene-4,6-dione
CID 88861984
8-methylnon-1-en-4-one
CID 116659508
(3E)-5-methylocta-3,7-dienoic acid
CID 12676518
(E)-2,6-dimethylhept-3-ene;methane
CID 158228697
5-methyl-1-(2,3,4,5,6-pentamethylphenyl)hex-3-en-1-one
CID 160699971
methyl (Z)-5-methylhex-3-enoate
CID 117268010

Frequently Asked Questions

What is the IUPAC name of 6,10-dimethylundeca-1,8-dien-4-one?
The IUPAC name of 6,10-dimethylundeca-1,8-dien-4-one (CID 71331360) is 6,10-dimethylundeca-1,8-dien-4-one.
What is the SMILES notation for 6,10-dimethylundeca-1,8-dien-4-one?
The canonical SMILES for 6,10-dimethylundeca-1,8-dien-4-one is C=CCC(=O)CC(C)CC=CC(C)C.
What is the InChIKey of 6,10-dimethylundeca-1,8-dien-4-one?
The InChIKey is OBZHRFFLMCGMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-5-7-13(14)10-12(4)9-6-8-11(2)3/h5-6,8,11-12H,1,7,9-10H2,2-4H3.
What are the key properties of 6,10-dimethylundeca-1,8-dien-4-one?
6,10-dimethylundeca-1,8-dien-4-one has a molecular weight of 194.32 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dimethylundeca-1,8-dien-4-one is sourced from PubChem (CID 71331360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).