(E)-5-methoxy-6,7-dimethyloct-3-en-2-one

C11H20O2 — CID 87291721

IUPAC(E)-5-methoxy-6,7-dimethyloct-3-en-2-one
SMILESCOC(/C=C/C(C)=O)C(C)C(C)C
InChIInChI=1S/C11H20O2/c1-8(2)10(4)11(13-5)7-6-9(3)12/h6-8,10-11H,1-5H3/b7-6+
InChIKeyCEOVWJRDTXNZIQ-VOTSOKGWSA-N
MW184.28 g/mol
LogP2.44
Rot. Bonds5

About (E)-5-methoxy-6,7-dimethyloct-3-en-2-one

(E)-5-methoxy-6,7-dimethyloct-3-en-2-one (PubChem CID 87291721) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (E)-5-methoxy-6,7-dimethyloct-3-en-2-one.

Molecular Properties

Compound Name(E)-5-methoxy-6,7-dimethyloct-3-en-2-one
PubChem CID87291721
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(E)-5-methoxy-6,7-dimethyloct-3-en-2-one
SMILESCOC(/C=C/C(C)=O)C(C)C(C)C
InChIInChI=1S/C11H20O2/c1-8(2)10(4)11(13-5)7-6-9(3)12/h6-8,10-11H,1-5H3/b7-6+
InChIKeyCEOVWJRDTXNZIQ-VOTSOKGWSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-methoxy-6-methyldec-3-en-2-one
CID 87291566
5-methoxy-6-methyldec-3-en-2-one
CID 91554031
(Z,5R)-5-hydroxyhex-3-en-2-one
CID 59975420
(E,5S)-5-hydroxyhex-3-en-2-one
CID 10678210
methyl (E)-6-oxo-3-propan-2-ylhept-4-enoate
CID 90472497
5-methylhex-3-en-2-one;palladium(2+);dichloride
CID 173341273
(E)-5-hydroxy-7,8-dimethylnon-3-en-2-one
CID 87291906
(1-acetyloxy-4-oxopent-2-enyl) acetate
CID 173409185
(E)-5-methoxy-6,6-dimethyloct-3-en-2-one
CID 87292209
(E)-hex-3-ene-2,5-dione
CID 5363639
(E)-5,5-difluoropent-3-en-2-one;ethane
CID 177000471
(E)-5-methoxy-6,6-dimethylnon-3-en-2-one
CID 87291192

Frequently Asked Questions

What is the IUPAC name of (E)-5-methoxy-6,7-dimethyloct-3-en-2-one?
The IUPAC name of (E)-5-methoxy-6,7-dimethyloct-3-en-2-one (CID 87291721) is (E)-5-methoxy-6,7-dimethyloct-3-en-2-one.
What is the SMILES notation for (E)-5-methoxy-6,7-dimethyloct-3-en-2-one?
The canonical SMILES for (E)-5-methoxy-6,7-dimethyloct-3-en-2-one is COC(/C=C/C(C)=O)C(C)C(C)C.
What is the InChIKey of (E)-5-methoxy-6,7-dimethyloct-3-en-2-one?
The InChIKey is CEOVWJRDTXNZIQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H20O2/c1-8(2)10(4)11(13-5)7-6-9(3)12/h6-8,10-11H,1-5H3/b7-6+.
What are the key properties of (E)-5-methoxy-6,7-dimethyloct-3-en-2-one?
(E)-5-methoxy-6,7-dimethyloct-3-en-2-one has a molecular weight of 184.28 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methoxy-6,7-dimethyloct-3-en-2-one is sourced from PubChem (CID 87291721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).