7-ethyl-5-methylundeca-4,8-dien-3-one

C14H24O — CID 74051199

IUPAC7-ethyl-5-methylundeca-4,8-dien-3-one
SMILESCCC=CC(CC)CC(C)=CC(=O)CC
InChIInChI=1S/C14H24O/c1-5-8-9-13(6-2)10-12(4)11-14(15)7-3/h8-9,11,13H,5-7,10H2,1-4H3
InChIKeyADALNYBEFSIJHR-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.29
Rot. Bonds7

About 7-ethyl-5-methylundeca-4,8-dien-3-one

7-ethyl-5-methylundeca-4,8-dien-3-one (PubChem CID 74051199) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 7-ethyl-5-methylundeca-4,8-dien-3-one.

Molecular Properties

Compound Name7-ethyl-5-methylundeca-4,8-dien-3-one
PubChem CID74051199
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name7-ethyl-5-methylundeca-4,8-dien-3-one
SMILESCCC=CC(CC)CC(C)=CC(=O)CC
InChIInChI=1S/C14H24O/c1-5-8-9-13(6-2)10-12(4)11-14(15)7-3/h8-9,11,13H,5-7,10H2,1-4H3
InChIKeyADALNYBEFSIJHR-UHFFFAOYSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethylhex-3-en-1-ol
CID 543244
(E)-3-[(3R,5S)-3,5-diethyl-5-[(1E,4S,5E)-4-ethyl-2-methylocta-1,5-dienyl]dioxolan-3-yl]prop-2-enoic acid
CID 134852096
(E)-3-ethylhept-4-enal
CID 19936108
methyl 2-[(3R,4R,6R)-4,6-diethyl-6-[(1E,5E)-4-ethyl-2-methylocta-1,5-dienyl]dioxan-3-yl]acetate
CID 101070279
(2R)-2-[[(E)-3-ethylhept-4-enoyl]amino]-5-oxopentanoic acid
CID 173343908
(E)-3-methylhept-4-enoyl chloride
CID 19936104
5-ethylnon-3-ene
CID 91177059
(2E,4R,6E,8S)-4,8-diethyl-6-methyldodeca-2,6-dien-1-ol
CID 46189708
(5,9-diethyl-3-oxotridec-10-en-5-yl) acetate
CID 75212089
(Z)-4-methylhex-3-en-2-one
CID 12930146
5-(butan-2-ylamino)hex-4-en-3-one
CID 151611875
(E)-5-ethylhept-3-en-2-one
CID 5463478

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-methylundeca-4,8-dien-3-one?
The IUPAC name of 7-ethyl-5-methylundeca-4,8-dien-3-one (CID 74051199) is 7-ethyl-5-methylundeca-4,8-dien-3-one.
What is the SMILES notation for 7-ethyl-5-methylundeca-4,8-dien-3-one?
The canonical SMILES for 7-ethyl-5-methylundeca-4,8-dien-3-one is CCC=CC(CC)CC(C)=CC(=O)CC.
What is the InChIKey of 7-ethyl-5-methylundeca-4,8-dien-3-one?
The InChIKey is ADALNYBEFSIJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-5-8-9-13(6-2)10-12(4)11-14(15)7-3/h8-9,11,13H,5-7,10H2,1-4H3.
What are the key properties of 7-ethyl-5-methylundeca-4,8-dien-3-one?
7-ethyl-5-methylundeca-4,8-dien-3-one has a molecular weight of 208.34 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-methylundeca-4,8-dien-3-one is sourced from PubChem (CID 74051199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).