(5E)-5,9-dimethyldeca-5,8-dien-2-one

C12H20O — CID 5369930

IUPAC(5E)-5,9-dimethyldeca-5,8-dien-2-one
SMILESCC(=O)CC/C(C)=C/CC=C(C)C
InChIInChI=1S/C12H20O/c1-10(2)6-5-7-11(3)8-9-12(4)13/h6-7H,5,8-9H2,1-4H3/b11-7+
InChIKeyUUXRFMARQFDGHE-YRNVUSSQSA-N
MW180.29 g/mol
LogP3.66
Rot. Bonds5

About (5E)-5,9-dimethyldeca-5,8-dien-2-one

(5E)-5,9-dimethyldeca-5,8-dien-2-one (PubChem CID 5369930) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (5E)-5,9-dimethyldeca-5,8-dien-2-one.

Molecular Properties

Compound Name(5E)-5,9-dimethyldeca-5,8-dien-2-one
PubChem CID5369930
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(5E)-5,9-dimethyldeca-5,8-dien-2-one
SMILESCC(=O)CC/C(C)=C/CC=C(C)C
InChIInChI=1S/C12H20O/c1-10(2)6-5-7-11(3)8-9-12(4)13/h6-7H,5,8-9H2,1-4H3/b11-7+
InChIKeyUUXRFMARQFDGHE-YRNVUSSQSA-N
XLogP3.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.66
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

(5Z,8Z)-5-methyl-9-trimethylsilyloxydeca-5,8-dien-2-one
CID 102462624
(E)-8-hydroxy-5-methyloct-5-en-2-one
CID 102321147
[(3E)-3,7-dimethylocta-3,6-dienyl] propanoate
CID 101283444
3,7,11-trimethyldodeca-2,7,10-trien-1-ol
CID 54253361
hexane-2,5-dione
CID 8035
2,6,10-trimethylundeca-2,6,9-trien-4-one
CID 57093023
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopentanamide
CID 118119915
2,6,10-trimethyl-12-nitrosododeca-2,6,9-triene
CID 54261017
formaldehyde;3,6,10-trimethylundeca-2,6,9-trien-4-one
CID 88788750
(5E,9E)-11-cyclobutyl-5,9-dimethylundeca-5,9-dien-2-one
CID 145113711
12-chloro-2,6,10-trimethyldodeca-2,6,9-triene
CID 176889443
2,5-dioxohexanal
CID 118437747

Frequently Asked Questions

What is the IUPAC name of (5E)-5,9-dimethyldeca-5,8-dien-2-one?
The IUPAC name of (5E)-5,9-dimethyldeca-5,8-dien-2-one (CID 5369930) is (5E)-5,9-dimethyldeca-5,8-dien-2-one.
What is the SMILES notation for (5E)-5,9-dimethyldeca-5,8-dien-2-one?
The canonical SMILES for (5E)-5,9-dimethyldeca-5,8-dien-2-one is CC(=O)CC/C(C)=C/CC=C(C)C.
What is the InChIKey of (5E)-5,9-dimethyldeca-5,8-dien-2-one?
The InChIKey is UUXRFMARQFDGHE-YRNVUSSQSA-N. The full InChI is InChI=1S/C12H20O/c1-10(2)6-5-7-11(3)8-9-12(4)13/h6-7H,5,8-9H2,1-4H3/b11-7+.
What are the key properties of (5E)-5,9-dimethyldeca-5,8-dien-2-one?
(5E)-5,9-dimethyldeca-5,8-dien-2-one has a molecular weight of 180.29 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5,9-dimethyldeca-5,8-dien-2-one is sourced from PubChem (CID 5369930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).