(5E,8Z)-5-ethyl-3-methyldeca-5,8-dien-4-one

C13H22O — CID 142809484

IUPAC(5E,8Z)-5-ethyl-3-methyldeca-5,8-dien-4-one
SMILESC/C=C\C/C=C(\CC)C(=O)C(C)CC
InChIInChI=1S/C13H22O/c1-5-8-9-10-12(7-3)13(14)11(4)6-2/h5,8,10-11H,6-7,9H2,1-4H3/b8-5-,12-10+
InChIKeyREILOOPJPVMORB-ATRCHBHBSA-N
MW194.32 g/mol
LogP3.90
Rot. Bonds6

About (5E,8Z)-5-ethyl-3-methyldeca-5,8-dien-4-one

(5E,8Z)-5-ethyl-3-methyldeca-5,8-dien-4-one (PubChem CID 142809484) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (5E,8Z)-5-ethyl-3-methyldeca-5,8-dien-4-one.

Molecular Properties

Compound Name(5E,8Z)-5-ethyl-3-methyldeca-5,8-dien-4-one
PubChem CID142809484
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(5E,8Z)-5-ethyl-3-methyldeca-5,8-dien-4-one
SMILESC/C=C\C/C=C(\CC)C(=O)C(C)CC
InChIInChI=1S/C13H22O/c1-5-8-9-10-12(7-3)13(14)11(4)6-2/h5,8,10-11H,6-7,9H2,1-4H3/b8-5-,12-10+
InChIKeyREILOOPJPVMORB-ATRCHBHBSA-N
XLogP3.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.90
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

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calcium 3-methyl-2-oxopentanoic acid
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CID 175109385
butan-2-yl (E)-hex-4-enoate
CID 167677654
(9Z,12Z,15Z)-3-methylhenicosa-9,12,15-trien-4-one
CID 155312053
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CID 159429251

Frequently Asked Questions

What is the IUPAC name of (5E,8Z)-5-ethyl-3-methyldeca-5,8-dien-4-one?
The IUPAC name of (5E,8Z)-5-ethyl-3-methyldeca-5,8-dien-4-one (CID 142809484) is (5E,8Z)-5-ethyl-3-methyldeca-5,8-dien-4-one.
What is the SMILES notation for (5E,8Z)-5-ethyl-3-methyldeca-5,8-dien-4-one?
The canonical SMILES for (5E,8Z)-5-ethyl-3-methyldeca-5,8-dien-4-one is C/C=C\C/C=C(\CC)C(=O)C(C)CC.
What is the InChIKey of (5E,8Z)-5-ethyl-3-methyldeca-5,8-dien-4-one?
The InChIKey is REILOOPJPVMORB-ATRCHBHBSA-N. The full InChI is InChI=1S/C13H22O/c1-5-8-9-10-12(7-3)13(14)11(4)6-2/h5,8,10-11H,6-7,9H2,1-4H3/b8-5-,12-10+.
What are the key properties of (5E,8Z)-5-ethyl-3-methyldeca-5,8-dien-4-one?
(5E,8Z)-5-ethyl-3-methyldeca-5,8-dien-4-one has a molecular weight of 194.32 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,8Z)-5-ethyl-3-methyldeca-5,8-dien-4-one is sourced from PubChem (CID 142809484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).