1-(cyclohexen-1-yl)-5-methoxy-3-methylpentan-2-one

C13H22O2 — CID 116659751

IUPAC1-(cyclohexen-1-yl)-5-methoxy-3-methylpentan-2-one
SMILESCOCCC(C)C(=O)CC1=CCCCC1
InChIInChI=1S/C13H22O2/c1-11(8-9-15-2)13(14)10-12-6-4-3-5-7-12/h6,11H,3-5,7-10H2,1-2H3
InChIKeyACUKNJBCOCLXTF-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.12
Rot. Bonds6

About 1-(cyclohexen-1-yl)-5-methoxy-3-methylpentan-2-one

1-(cyclohexen-1-yl)-5-methoxy-3-methylpentan-2-one (PubChem CID 116659751) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-5-methoxy-3-methylpentan-2-one.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-5-methoxy-3-methylpentan-2-one
PubChem CID116659751
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name1-(cyclohexen-1-yl)-5-methoxy-3-methylpentan-2-one
SMILESCOCCC(C)C(=O)CC1=CCCCC1
InChIInChI=1S/C13H22O2/c1-11(8-9-15-2)13(14)10-12-6-4-3-5-7-12/h6,11H,3-5,7-10H2,1-2H3
InChIKeyACUKNJBCOCLXTF-UHFFFAOYSA-N
XLogP3.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohexen-1-yl)-3-methylpentan-2-one
CID 116659851
1-(cycloocten-1-yl)-3-methylbutan-2-one
CID 147027331
methyl 2-(cyclohexen-1-yl)acetate
CID 11051874
methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]propanoate
CID 63564809
1-(cyclohexen-1-yl)-6-methylheptan-2-one
CID 116659759
1-(cyclohepten-1-yl)-3-ethylheptan-2-one
CID 91557900
3-(cyclohexen-1-yl)-2-methylpropanoic acid
CID 54053706
1-(cyclohexen-1-yl)-4-methylhexan-2-one
CID 116659650
methyl 2-[[2-(cyclohexen-1-yl)acetyl]-propan-2-ylamino]acetate
CID 63565005
1-(cyclohexen-1-yl)-4-methylheptan-2-one
CID 116659771
methyl 3-[[2-(cyclohexen-1-yl)acetyl]-(2-methoxyethyl)amino]propanoate
CID 78959270
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2289204

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-5-methoxy-3-methylpentan-2-one?
The IUPAC name of 1-(cyclohexen-1-yl)-5-methoxy-3-methylpentan-2-one (CID 116659751) is 1-(cyclohexen-1-yl)-5-methoxy-3-methylpentan-2-one.
What is the SMILES notation for 1-(cyclohexen-1-yl)-5-methoxy-3-methylpentan-2-one?
The canonical SMILES for 1-(cyclohexen-1-yl)-5-methoxy-3-methylpentan-2-one is COCCC(C)C(=O)CC1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-5-methoxy-3-methylpentan-2-one?
The InChIKey is ACUKNJBCOCLXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-11(8-9-15-2)13(14)10-12-6-4-3-5-7-12/h6,11H,3-5,7-10H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-5-methoxy-3-methylpentan-2-one?
1-(cyclohexen-1-yl)-5-methoxy-3-methylpentan-2-one has a molecular weight of 210.32 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-5-methoxy-3-methylpentan-2-one is sourced from PubChem (CID 116659751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).