5-methoxy-4-methyl-6-[(E)-6-methylhept-2-en-2-yl]cyclohex-2-en-1-one

C16H26O2 — CID 23523043

IUPAC5-methoxy-4-methyl-6-[(E)-6-methylhept-2-en-2-yl]cyclohex-2-en-1-one
SMILESCOC1C(C)C=CC(=O)C1/C(C)=C/CCC(C)C
InChIInChI=1S/C16H26O2/c1-11(2)7-6-8-12(3)15-14(17)10-9-13(4)16(15)18-5/h8-11,13,15-16H,6-7H2,1-5H3/b12-8+
InChIKeyFTSTZYFXDKBEFG-XYOKQWHBSA-N
MW250.38 g/mol
LogP3.78
Rot. Bonds5

About 5-methoxy-4-methyl-6-[(E)-6-methylhept-2-en-2-yl]cyclohex-2-en-1-one

5-methoxy-4-methyl-6-[(E)-6-methylhept-2-en-2-yl]cyclohex-2-en-1-one (PubChem CID 23523043) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 5-methoxy-4-methyl-6-[(E)-6-methylhept-2-en-2-yl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name5-methoxy-4-methyl-6-[(E)-6-methylhept-2-en-2-yl]cyclohex-2-en-1-one
PubChem CID23523043
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name5-methoxy-4-methyl-6-[(E)-6-methylhept-2-en-2-yl]cyclohex-2-en-1-one
SMILESCOC1C(C)C=CC(=O)C1/C(C)=C/CCC(C)C
InChIInChI=1S/C16H26O2/c1-11(2)7-6-8-12(3)15-14(17)10-9-13(4)16(15)18-5/h8-11,13,15-16H,6-7H2,1-5H3/b12-8+
InChIKeyFTSTZYFXDKBEFG-XYOKQWHBSA-N
XLogP3.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methoxy-4-methyl-6-[(E)-6-methylhept-2-en-2-yl]cyclohex-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(5R,6S)-6-hydroxy-2-methyl-5-propan-2-ylnona-2,8-dien-4-one
CID 134968109
(2S,3S)-2,6-diethyl-3-methyl-2,3-dihydropyran-4-one
CID 131165590
2,3,5-trimethyl-6-[(E)-pent-3-en-2-yl]-2,3-dihydropyran-4-one
CID 14477212
(E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one
CID 20687575
2,3,5-Trimethyl-6-pent-3-en-2-yl-2,3-dihydropyran-4-one
CID 54109030
[(E,3S)-8-acetyloxy-3-ethyl-7,9-dimethyl-6-oxodec-4-en-2-yl] acetate
CID 59968473

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-methyl-6-[(E)-6-methylhept-2-en-2-yl]cyclohex-2-en-1-one?
The IUPAC name of 5-methoxy-4-methyl-6-[(E)-6-methylhept-2-en-2-yl]cyclohex-2-en-1-one (CID 23523043) is 5-methoxy-4-methyl-6-[(E)-6-methylhept-2-en-2-yl]cyclohex-2-en-1-one.
What is the SMILES notation for 5-methoxy-4-methyl-6-[(E)-6-methylhept-2-en-2-yl]cyclohex-2-en-1-one?
The canonical SMILES for 5-methoxy-4-methyl-6-[(E)-6-methylhept-2-en-2-yl]cyclohex-2-en-1-one is COC1C(C)C=CC(=O)C1/C(C)=C/CCC(C)C.
What is the InChIKey of 5-methoxy-4-methyl-6-[(E)-6-methylhept-2-en-2-yl]cyclohex-2-en-1-one?
The InChIKey is FTSTZYFXDKBEFG-XYOKQWHBSA-N. The full InChI is InChI=1S/C16H26O2/c1-11(2)7-6-8-12(3)15-14(17)10-9-13(4)16(15)18-5/h8-11,13,15-16H,6-7H2,1-5H3/b12-8+.
What are the key properties of 5-methoxy-4-methyl-6-[(E)-6-methylhept-2-en-2-yl]cyclohex-2-en-1-one?
5-methoxy-4-methyl-6-[(E)-6-methylhept-2-en-2-yl]cyclohex-2-en-1-one has a molecular weight of 250.38 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-methyl-6-[(E)-6-methylhept-2-en-2-yl]cyclohex-2-en-1-one is sourced from PubChem (CID 23523043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).