[3-[(E)-2-methoxyethenyl]cyclohex-2-en-1-yl] acetate

C11H16O3 — CID 10465278

IUPAC[3-[(E)-2-methoxyethenyl]cyclohex-2-en-1-yl] acetate
SMILESCO/C=C/C1=CC(OC(C)=O)CCC1
InChIInChI=1S/C11H16O3/c1-9(12)14-11-5-3-4-10(8-11)6-7-13-2/h6-8,11H,3-5H2,1-2H3/b7-6+
InChIKeyDYLKZOPSWJUQEP-VOTSOKGWSA-N
MW196.25 g/mol
LogP2.19
Rot. Bonds3

About [3-[(E)-2-methoxyethenyl]cyclohex-2-en-1-yl] acetate

[3-[(E)-2-methoxyethenyl]cyclohex-2-en-1-yl] acetate (PubChem CID 10465278) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is [3-[(E)-2-methoxyethenyl]cyclohex-2-en-1-yl] acetate.

Molecular Properties

Compound Name[3-[(E)-2-methoxyethenyl]cyclohex-2-en-1-yl] acetate
PubChem CID10465278
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name[3-[(E)-2-methoxyethenyl]cyclohex-2-en-1-yl] acetate
SMILESCO/C=C/C1=CC(OC(C)=O)CCC1
InChIInChI=1S/C11H16O3/c1-9(12)14-11-5-3-4-10(8-11)6-7-13-2/h6-8,11H,3-5H2,1-2H3/b7-6+
InChIKeyDYLKZOPSWJUQEP-VOTSOKGWSA-N
XLogP2.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[(E)-2-methoxyethenyl]cyclohex-2-en-1-yl] acetate?
The IUPAC name of [3-[(E)-2-methoxyethenyl]cyclohex-2-en-1-yl] acetate (CID 10465278) is [3-[(E)-2-methoxyethenyl]cyclohex-2-en-1-yl] acetate.
What is the SMILES notation for [3-[(E)-2-methoxyethenyl]cyclohex-2-en-1-yl] acetate?
The canonical SMILES for [3-[(E)-2-methoxyethenyl]cyclohex-2-en-1-yl] acetate is CO/C=C/C1=CC(OC(C)=O)CCC1.
What is the InChIKey of [3-[(E)-2-methoxyethenyl]cyclohex-2-en-1-yl] acetate?
The InChIKey is DYLKZOPSWJUQEP-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H16O3/c1-9(12)14-11-5-3-4-10(8-11)6-7-13-2/h6-8,11H,3-5H2,1-2H3/b7-6+.
What are the key properties of [3-[(E)-2-methoxyethenyl]cyclohex-2-en-1-yl] acetate?
[3-[(E)-2-methoxyethenyl]cyclohex-2-en-1-yl] acetate has a molecular weight of 196.25 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(E)-2-methoxyethenyl]cyclohex-2-en-1-yl] acetate is sourced from PubChem (CID 10465278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).