5,7-dimethylocta-3,5-dien-2-one

C10H16O — CID 130754932

IUPAC5,7-dimethylocta-3,5-dien-2-one
SMILESCC(=O)C=CC(C)=CC(C)C
InChIInChI=1S/C10H16O/c1-8(2)7-9(3)5-6-10(4)11/h5-8H,1-4H3
InChIKeyMAFXMOBULWEZLH-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.73
Rot. Bonds3

About 5,7-dimethylocta-3,5-dien-2-one

5,7-dimethylocta-3,5-dien-2-one (PubChem CID 130754932) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 5,7-dimethylocta-3,5-dien-2-one.

Molecular Properties

Compound Name5,7-dimethylocta-3,5-dien-2-one
PubChem CID130754932
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name5,7-dimethylocta-3,5-dien-2-one
SMILESCC(=O)C=CC(C)=CC(C)C
InChIInChI=1S/C10H16O/c1-8(2)7-9(3)5-6-10(4)11/h5-8H,1-4H3
InChIKeyMAFXMOBULWEZLH-UHFFFAOYSA-N
XLogP2.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-hex-3-ene-2,5-dione
CID 5363639
molecular iodine;(3Z,5Z)-2,4,7-trimethylocta-3,5-diene
CID 158020066
(2E,4E)-2,4,6-trimethylhepta-2,4-dienoic acid
CID 118877849
(3E,5E,7S,8R)-8-hydroxy-7-(hydroxymethyl)-5-methyldeca-3,5-dien-2-one
CID 102506726
5-methylhex-3-en-2-one;palladium(2+);dichloride
CID 173341273
2-oxopropanethial
CID 18364311
(2Z,4Z)-4,6-dimethylhepta-2,4-dien-1-imine
CID 143263122
(Z)-4-oxopent-2-enoic acid;(E)-4-oxopent-2-enoic acid
CID 158960981
(Z,5R)-5-hydroxyhex-3-en-2-one
CID 59975420
(E,5S)-5-hydroxyhex-3-en-2-one
CID 10678210
(3E,7E,9E,11E,13S,14S,16S)-13,14,16-trihydroxy-5,7,11-trimethylheptadeca-3,5,7,9,11-pentaen-2-one
CID 123339000
(E)-6-methylhept-3-en-2-one
CID 5462986

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethylocta-3,5-dien-2-one?
The IUPAC name of 5,7-dimethylocta-3,5-dien-2-one (CID 130754932) is 5,7-dimethylocta-3,5-dien-2-one.
What is the SMILES notation for 5,7-dimethylocta-3,5-dien-2-one?
The canonical SMILES for 5,7-dimethylocta-3,5-dien-2-one is CC(=O)C=CC(C)=CC(C)C.
What is the InChIKey of 5,7-dimethylocta-3,5-dien-2-one?
The InChIKey is MAFXMOBULWEZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8(2)7-9(3)5-6-10(4)11/h5-8H,1-4H3.
What are the key properties of 5,7-dimethylocta-3,5-dien-2-one?
5,7-dimethylocta-3,5-dien-2-one has a molecular weight of 152.24 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethylocta-3,5-dien-2-one is sourced from PubChem (CID 130754932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).