5-methoxy-6-methyldec-3-en-2-one

C12H22O2 — CID 91554031

IUPAC5-methoxy-6-methyldec-3-en-2-one
SMILESCCCCC(C)C(C=CC(C)=O)OC
InChIInChI=1S/C12H22O2/c1-5-6-7-10(2)12(14-4)9-8-11(3)13/h8-10,12H,5-7H2,1-4H3
InChIKeySXTFJRIHXRBYDG-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.97
Rot. Bonds7

About 5-methoxy-6-methyldec-3-en-2-one

5-methoxy-6-methyldec-3-en-2-one (PubChem CID 91554031) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 5-methoxy-6-methyldec-3-en-2-one.

Molecular Properties

Compound Name5-methoxy-6-methyldec-3-en-2-one
PubChem CID91554031
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name5-methoxy-6-methyldec-3-en-2-one
SMILESCCCCC(C)C(C=CC(C)=O)OC
InChIInChI=1S/C12H22O2/c1-5-6-7-10(2)12(14-4)9-8-11(3)13/h8-10,12H,5-7H2,1-4H3
InChIKeySXTFJRIHXRBYDG-UHFFFAOYSA-N
XLogP2.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.97
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
(E)-5-hydroxy-6-methyldec-3-en-2-one
CID 87292051
tributyl(3-oxobut-1-enyl)phosphanium
CID 88771980
5-methoxy-6-methyldec-3-en-1-ol
CID 91234450
(E)-5-methoxy-6,7-dimethyloct-3-en-2-one
CID 87291721
(E)-5-methoxy-6,6-dimethylnon-3-en-2-one
CID 87291192
3-methylheptan-2-yl acetate
CID 91461140
[(E)-2-oxoundec-3-en-5-yl] acetate
CID 15656036
(1-hydroxy-2-methylhexyl) 3-methylbut-2-enoate
CID 141323242
ethyl (2R,3S)-2,3-dimethylheptanoate
CID 12933610
1-methoxypentyl acetate
CID 18000534
methyl 2-amino-3-methylheptanoate;hydrochloride
CID 175195300

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-methyldec-3-en-2-one?
The IUPAC name of 5-methoxy-6-methyldec-3-en-2-one (CID 91554031) is 5-methoxy-6-methyldec-3-en-2-one.
What is the SMILES notation for 5-methoxy-6-methyldec-3-en-2-one?
The canonical SMILES for 5-methoxy-6-methyldec-3-en-2-one is CCCCC(C)C(C=CC(C)=O)OC.
What is the InChIKey of 5-methoxy-6-methyldec-3-en-2-one?
The InChIKey is SXTFJRIHXRBYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-5-6-7-10(2)12(14-4)9-8-11(3)13/h8-10,12H,5-7H2,1-4H3.
What are the key properties of 5-methoxy-6-methyldec-3-en-2-one?
5-methoxy-6-methyldec-3-en-2-one has a molecular weight of 198.31 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-methyldec-3-en-2-one is sourced from PubChem (CID 91554031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).