5-ethyl-8-methylidenedecan-3-one

C13H24O — CID 161304636

IUPAC5-ethyl-8-methylidenedecan-3-one
SMILESC=C(CC)CCC(CC)CC(=O)CC
InChIInChI=1S/C13H24O/c1-5-11(4)8-9-12(6-2)10-13(14)7-3/h12H,4-10H2,1-3H3
InChIKeyAQSXORSNBOPLIT-UHFFFAOYSA-N
MW196.33 g/mol
LogP4.13
Rot. Bonds8

About 5-ethyl-8-methylidenedecan-3-one

5-ethyl-8-methylidenedecan-3-one (PubChem CID 161304636) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 5-ethyl-8-methylidenedecan-3-one.

Molecular Properties

Compound Name5-ethyl-8-methylidenedecan-3-one
PubChem CID161304636
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name5-ethyl-8-methylidenedecan-3-one
SMILESC=C(CC)CCC(CC)CC(=O)CC
InChIInChI=1S/C13H24O/c1-5-11(4)8-9-12(6-2)10-13(14)7-3/h12H,4-10H2,1-3H3
InChIKeyAQSXORSNBOPLIT-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.13
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

9-ethylundecane-3,6-dione
CID 174193885
3-(aminomethyl)-7-methylidenenonan-5-one
CID 116596430
7-ethyl-2-methylundec-1-en-5-one
CID 139807060
3-ethylhexanedioic acid
CID 18477236
8-amino-6-ethyloctan-3-one
CID 116578085
dimethyl 3-[2-[2-[3-(2-methylidenebutyl)-5-oxoheptoxy]ethoxy]ethyl]pentanedioate
CID 164799600
3-ethyl-2-methyl-6-methylideneoct-1-ene
CID 144692638
9,14-dimethylidene-12-(3-methylidenepentyl)triacontane;ethane;nonane
CID 171825332
3-methylidene-6-propyldodecane
CID 155645472
7-ethylnonan-4-one
CID 537776
(2R)-2-methyl-5-methylideneheptanal
CID 10240896
2,10-dimethyl-5-(3-methylbut-3-enyl)-7-methylideneundeca-1,10-diene;20-ethyl-12-(8-ethyl-3,6-dimethylidenedecyl)-2-methyl-5-(3-methylbut-3-enyl)-7,10,15,18-tetramethylidenedocos-1-ene
CID 162196667

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-8-methylidenedecan-3-one?
The IUPAC name of 5-ethyl-8-methylidenedecan-3-one (CID 161304636) is 5-ethyl-8-methylidenedecan-3-one.
What is the SMILES notation for 5-ethyl-8-methylidenedecan-3-one?
The canonical SMILES for 5-ethyl-8-methylidenedecan-3-one is C=C(CC)CCC(CC)CC(=O)CC.
What is the InChIKey of 5-ethyl-8-methylidenedecan-3-one?
The InChIKey is AQSXORSNBOPLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-5-11(4)8-9-12(6-2)10-13(14)7-3/h12H,4-10H2,1-3H3.
What are the key properties of 5-ethyl-8-methylidenedecan-3-one?
5-ethyl-8-methylidenedecan-3-one has a molecular weight of 196.33 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-8-methylidenedecan-3-one is sourced from PubChem (CID 161304636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).