(Z)-4-methoxy-2,7-dimethyloct-4-ene-3,6-dione

C11H18O3 — CID 58193333

IUPAC(Z)-4-methoxy-2,7-dimethyloct-4-ene-3,6-dione
SMILESCO/C(=C\C(=O)C(C)C)C(=O)C(C)C
InChIInChI=1S/C11H18O3/c1-7(2)9(12)6-10(14-5)11(13)8(3)4/h6-8H,1-5H3/b10-6-
InChIKeySTBPWAHWEAMFHV-POHAHGRESA-N
MW198.26 g/mol
LogP1.97
Rot. Bonds5

About (Z)-4-methoxy-2,7-dimethyloct-4-ene-3,6-dione

(Z)-4-methoxy-2,7-dimethyloct-4-ene-3,6-dione (PubChem CID 58193333) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (Z)-4-methoxy-2,7-dimethyloct-4-ene-3,6-dione.

Molecular Properties

Compound Name(Z)-4-methoxy-2,7-dimethyloct-4-ene-3,6-dione
PubChem CID58193333
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(Z)-4-methoxy-2,7-dimethyloct-4-ene-3,6-dione
SMILESCO/C(=C\C(=O)C(C)C)C(=O)C(C)C
InChIInChI=1S/C11H18O3/c1-7(2)9(12)6-10(14-5)11(13)8(3)4/h6-8H,1-5H3/b10-6-
InChIKeySTBPWAHWEAMFHV-POHAHGRESA-N
XLogP1.97
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-amino-6-methoxy-2,6-dimethylhept-4-en-3-one
CID 53406966
(Z)-5-hydroxy-2,6-dimethylhept-4-en-3-one
CID 5378288
methyl (E)-5-methyl-4-oxohex-2-enoate
CID 11084121
(Z)-5-hydroxy-6-methoxy-2,6-dimethylhept-4-en-3-one
CID 15830314
methyl 2-methylpropanoate;titanium
CID 174633551
2,6-dimethyl-5-oxohept-3-en-3-olate
CID 99939056
methyl 2-(4-fluorophenyl)-5-methyl-4-oxohex-2-enoate
CID 141092492
4-ethenoxy-2-methylhex-4-en-3-one
CID 90754214
bis(5-hydroxy-2-methylhex-4-en-3-one);methanone;ruthenium(2+)
CID 152982295
(E)-3-amino-6-methylhept-3-ene-2,5-dione
CID 170266164
N-methoxymethanamine;propan-2-yl acetate
CID 158428721
2-methoxy-5-methylhex-4-en-3-one
CID 79617248

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methoxy-2,7-dimethyloct-4-ene-3,6-dione?
The IUPAC name of (Z)-4-methoxy-2,7-dimethyloct-4-ene-3,6-dione (CID 58193333) is (Z)-4-methoxy-2,7-dimethyloct-4-ene-3,6-dione.
What is the SMILES notation for (Z)-4-methoxy-2,7-dimethyloct-4-ene-3,6-dione?
The canonical SMILES for (Z)-4-methoxy-2,7-dimethyloct-4-ene-3,6-dione is CO/C(=C\C(=O)C(C)C)C(=O)C(C)C.
What is the InChIKey of (Z)-4-methoxy-2,7-dimethyloct-4-ene-3,6-dione?
The InChIKey is STBPWAHWEAMFHV-POHAHGRESA-N. The full InChI is InChI=1S/C11H18O3/c1-7(2)9(12)6-10(14-5)11(13)8(3)4/h6-8H,1-5H3/b10-6-.
What are the key properties of (Z)-4-methoxy-2,7-dimethyloct-4-ene-3,6-dione?
(Z)-4-methoxy-2,7-dimethyloct-4-ene-3,6-dione has a molecular weight of 198.26 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methoxy-2,7-dimethyloct-4-ene-3,6-dione is sourced from PubChem (CID 58193333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).