methyl 2-(cyclohexen-1-yl)acetate

C9H14O2 — CID 11051874

IUPACmethyl 2-(cyclohexen-1-yl)acetate
SMILESCOC(=O)CC1=CCCCC1
InChIInChI=1S/C9H14O2/c1-11-9(10)7-8-5-3-2-4-6-8/h5H,2-4,6-7H2,1H3
InChIKeyCWQPQGOALQRMEK-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.05
Rot. Bonds2

About methyl 2-(cyclohexen-1-yl)acetate

methyl 2-(cyclohexen-1-yl)acetate (PubChem CID 11051874) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is methyl 2-(cyclohexen-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(cyclohexen-1-yl)acetate
PubChem CID11051874
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Namemethyl 2-(cyclohexen-1-yl)acetate
SMILESCOC(=O)CC1=CCCCC1
InChIInChI=1S/C9H14O2/c1-11-9(10)7-8-5-3-2-4-6-8/h5H,2-4,6-7H2,1H3
InChIKeyCWQPQGOALQRMEK-UHFFFAOYSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.05
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

ethyl 2-(cycloocten-1-yl)acetate
CID 67663931
methyl 2-[[2-(cyclohexen-1-yl)acetyl]-propan-2-ylamino]acetate
CID 63565005
methyl 3-[[2-(cyclohexen-1-yl)acetyl]-(2-methoxyethyl)amino]propanoate
CID 78959270
methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]propanoate
CID 63564809
1-(cycloocten-1-yl)-3-methylbutan-2-one
CID 147027331
1-(cyclohexen-1-yl)-3-hydroxypropan-2-one
CID 130030095
1-(cyclohexen-1-yl)-5-methoxy-3-methylpentan-2-one
CID 116659751
ethyl 4-(cyclopenten-1-yl)-3-oxobutanoate
CID 154212044
methyl 5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]pentanoate
CID 60591326
1-(cyclohexen-1-yl)-3-methylpentan-2-one
CID 116659851
methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]benzoate
CID 63563667
methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-methylpentanoate
CID 63564232

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclohexen-1-yl)acetate?
The IUPAC name of methyl 2-(cyclohexen-1-yl)acetate (CID 11051874) is methyl 2-(cyclohexen-1-yl)acetate.
What is the SMILES notation for methyl 2-(cyclohexen-1-yl)acetate?
The canonical SMILES for methyl 2-(cyclohexen-1-yl)acetate is COC(=O)CC1=CCCCC1.
What is the InChIKey of methyl 2-(cyclohexen-1-yl)acetate?
The InChIKey is CWQPQGOALQRMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-11-9(10)7-8-5-3-2-4-6-8/h5H,2-4,6-7H2,1H3.
What are the key properties of methyl 2-(cyclohexen-1-yl)acetate?
methyl 2-(cyclohexen-1-yl)acetate has a molecular weight of 154.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclohexen-1-yl)acetate is sourced from PubChem (CID 11051874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).