(E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one

C16H30O3 — CID 20687575

IUPAC(E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one
SMILESCCC(/C=C/C(=O)C(C)C(OC)C(C)C)C(C)OC
InChIInChI=1S/C16H30O3/c1-8-14(13(5)18-6)9-10-15(17)12(4)16(19-7)11(2)3/h9-14,16H,8H2,1-7H3/b10-9+
InChIKeyNTCYLWLSGSZJHP-MDZDMXLPSA-N
MW270.41 g/mol
LogP3.48
Rot. Bonds9

About (E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one

(E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one (PubChem CID 20687575) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is (E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one.

Molecular Properties

Compound Name(E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one
PubChem CID20687575
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name(E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one
SMILESCCC(/C=C/C(=O)C(C)C(OC)C(C)C)C(C)OC
InChIInChI=1S/C16H30O3/c1-8-14(13(5)18-6)9-10-15(17)12(4)16(19-7)11(2)3/h9-14,16H,8H2,1-7H3/b10-9+
InChIKeyNTCYLWLSGSZJHP-MDZDMXLPSA-N
XLogP3.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1E,4S,10Z,13S)-4-[(Z)-pent-2-enyl]-5-oxabicyclo[11.3.0]hexadeca-1,10,14-triene-6,16-dione
CID 117990622
(1E,4S,9Z,12S)-4-[(2Z,5Z)-octa-2,5-dienyl]-5-oxabicyclo[10.3.0]pentadeca-1,9,13-triene-6,15-dione
CID 130467621
(1E,4R,10Z,13R)-4-[(Z)-pent-2-enyl]-5-oxabicyclo[11.3.0]hexadeca-1,10,14-triene-6,16-dione
CID 130467644
(1E,4S,10Z,13R)-4-[(Z)-pent-2-enyl]-5-oxabicyclo[11.3.0]hexadeca-1,10,14-triene-6,16-dione
CID 155810731
(1E,4S,9Z,12R)-4-[(2Z,5Z)-octa-2,5-dienyl]-5-oxabicyclo[10.3.0]pentadeca-1,9,13-triene-6,15-dione
CID 155814830
3,5,7,9,13-Pentamethyloxacyclo-tetradeca-5,11-diene-2,4,10-trione
CID 129655983
(2S,3S)-2,6-diethyl-3-methyl-2,3-dihydropyran-4-one
CID 131165590
[(E,3S)-8-acetyloxy-3-ethyl-7,9-dimethyl-6-oxodec-4-en-2-yl] acetate
CID 59968473
(E,3R,4S,8S,9R)-8-ethyl-3,9-dihydroxy-2,4-dimethyldec-6-en-5-one
CID 59968474
(4S,5E)-4-[(1R,2R)-1-methoxy-2-methylbut-3-enyl]-5,9-dimethyldeca-1,5-dien-3-one
CID 60115106
(4R,5R,6S)-5-methoxy-4-methyl-6-[(E)-6-methylhept-2-en-2-yl]cyclohex-2-en-1-one
CID 60115108
(5S)-5-butoxycyclohex-2-en-1-one
CID 68025969

Frequently Asked Questions

What is the IUPAC name of (E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one?
The IUPAC name of (E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one (CID 20687575) is (E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one.
What is the SMILES notation for (E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one?
The canonical SMILES for (E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one is CCC(/C=C/C(=O)C(C)C(OC)C(C)C)C(C)OC.
What is the InChIKey of (E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one?
The InChIKey is NTCYLWLSGSZJHP-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H30O3/c1-8-14(13(5)18-6)9-10-15(17)12(4)16(19-7)11(2)3/h9-14,16H,8H2,1-7H3/b10-9+.
What are the key properties of (E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one?
(E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one has a molecular weight of 270.41 g/mol, XLogP of 3.48, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one is sourced from PubChem (CID 20687575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).