1-(cyclohexen-1-yl)-2-methoxy-3,5-dimethylhex-2-en-1-one

C15H24O2 — CID 71379050

IUPAC1-(cyclohexen-1-yl)-2-methoxy-3,5-dimethylhex-2-en-1-one
SMILESCOC(C(=O)C1=CCCCC1)=C(C)CC(C)C
InChIInChI=1S/C15H24O2/c1-11(2)10-12(3)15(17-4)14(16)13-8-6-5-7-9-13/h8,11H,5-7,9-10H2,1-4H3
InChIKeyGFFOOMRVZOPQIC-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.02
Rot. Bonds5

About 1-(cyclohexen-1-yl)-2-methoxy-3,5-dimethylhex-2-en-1-one

1-(cyclohexen-1-yl)-2-methoxy-3,5-dimethylhex-2-en-1-one (PubChem CID 71379050) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-methoxy-3,5-dimethylhex-2-en-1-one.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-methoxy-3,5-dimethylhex-2-en-1-one
PubChem CID71379050
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-(cyclohexen-1-yl)-2-methoxy-3,5-dimethylhex-2-en-1-one
SMILESCOC(C(=O)C1=CCCCC1)=C(C)CC(C)C
InChIInChI=1S/C15H24O2/c1-11(2)10-12(3)15(17-4)14(16)13-8-6-5-7-9-13/h8,11H,5-7,9-10H2,1-4H3
InChIKeyGFFOOMRVZOPQIC-UHFFFAOYSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Decylubiquinone
CID 2971
Irisquinone
CID 5318483
Primin
CID 84800
5-O-Methylembelin
CID 171489
Sorgoleone
CID 6475682
Pallasone A
CID 5928229
2-Methoxy-6-undecyl-1,4-benzoquinone
CID 44559530
2-Methoxy-6-pentadecylcyclohexa-2,5-diene-1,4-dione
CID 71345494
2-Methoxy-6-tridecyl-1,4-benzoquinone
CID 10087379
Sorgoleone 358
CID 14427830
2,5-Dimethoxy-3-undecyl-[1,4]benzoquinone
CID 5086864
2,5-dimethoxy-3-[(8Z,11Z)-pentadeca-8,11,14-trienyl]cyclohexa-2,5-diene-1,4-dione
CID 21668690

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-methoxy-3,5-dimethylhex-2-en-1-one?
The IUPAC name of 1-(cyclohexen-1-yl)-2-methoxy-3,5-dimethylhex-2-en-1-one (CID 71379050) is 1-(cyclohexen-1-yl)-2-methoxy-3,5-dimethylhex-2-en-1-one.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-methoxy-3,5-dimethylhex-2-en-1-one?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-methoxy-3,5-dimethylhex-2-en-1-one is COC(C(=O)C1=CCCCC1)=C(C)CC(C)C.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-methoxy-3,5-dimethylhex-2-en-1-one?
The InChIKey is GFFOOMRVZOPQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-11(2)10-12(3)15(17-4)14(16)13-8-6-5-7-9-13/h8,11H,5-7,9-10H2,1-4H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-methoxy-3,5-dimethylhex-2-en-1-one?
1-(cyclohexen-1-yl)-2-methoxy-3,5-dimethylhex-2-en-1-one has a molecular weight of 236.35 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2-methoxy-3,5-dimethylhex-2-en-1-one is sourced from PubChem (CID 71379050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).