ethyl 2-cyclohex-2-en-1-ylacetate

C10H16O2 — CID 10374822

IUPACethyl 2-cyclohex-2-en-1-ylacetate
SMILESCCOC(=O)CC1C=CCCC1
InChIInChI=1S/C10H16O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h4,6,9H,2-3,5,7-8H2,1H3
InChIKeyFROLJCFJIQGXRU-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.30
Rot. Bonds3

About ethyl 2-cyclohex-2-en-1-ylacetate

ethyl 2-cyclohex-2-en-1-ylacetate (PubChem CID 10374822) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is ethyl 2-cyclohex-2-en-1-ylacetate.

Molecular Properties

Compound Nameethyl 2-cyclohex-2-en-1-ylacetate
PubChem CID10374822
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Nameethyl 2-cyclohex-2-en-1-ylacetate
SMILESCCOC(=O)CC1C=CCCC1
InChIInChI=1S/C10H16O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h4,6,9H,2-3,5,7-8H2,1H3
InChIKeyFROLJCFJIQGXRU-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclohex-2-en-1-ylacetate?
The IUPAC name of ethyl 2-cyclohex-2-en-1-ylacetate (CID 10374822) is ethyl 2-cyclohex-2-en-1-ylacetate.
What is the SMILES notation for ethyl 2-cyclohex-2-en-1-ylacetate?
The canonical SMILES for ethyl 2-cyclohex-2-en-1-ylacetate is CCOC(=O)CC1C=CCCC1.
What is the InChIKey of ethyl 2-cyclohex-2-en-1-ylacetate?
The InChIKey is FROLJCFJIQGXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h4,6,9H,2-3,5,7-8H2,1H3.
What are the key properties of ethyl 2-cyclohex-2-en-1-ylacetate?
ethyl 2-cyclohex-2-en-1-ylacetate has a molecular weight of 168.24 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclohex-2-en-1-ylacetate is sourced from PubChem (CID 10374822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).