1-(cyclohexen-1-yl)ethenyl acetate

C10H14O2 — CID 12809637

IUPAC1-(cyclohexen-1-yl)ethenyl acetate
SMILESC=C(OC(C)=O)C1=CCCCC1
InChIInChI=1S/C10H14O2/c1-8(12-9(2)11)10-6-4-3-5-7-10/h6H,1,3-5,7H2,2H3
InChIKeyMLEPHGXEMBTTBK-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.56
Rot. Bonds2

About 1-(cyclohexen-1-yl)ethenyl acetate

1-(cyclohexen-1-yl)ethenyl acetate (PubChem CID 12809637) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)ethenyl acetate.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)ethenyl acetate
PubChem CID12809637
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-(cyclohexen-1-yl)ethenyl acetate
SMILESC=C(OC(C)=O)C1=CCCCC1
InChIInChI=1S/C10H14O2/c1-8(12-9(2)11)10-6-4-3-5-7-10/h6H,1,3-5,7H2,2H3
InChIKeyMLEPHGXEMBTTBK-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(cyclohexen-1-yl)ethenyl acetate?
The IUPAC name of 1-(cyclohexen-1-yl)ethenyl acetate (CID 12809637) is 1-(cyclohexen-1-yl)ethenyl acetate.
What is the SMILES notation for 1-(cyclohexen-1-yl)ethenyl acetate?
The canonical SMILES for 1-(cyclohexen-1-yl)ethenyl acetate is C=C(OC(C)=O)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)ethenyl acetate?
The InChIKey is MLEPHGXEMBTTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-8(12-9(2)11)10-6-4-3-5-7-10/h6H,1,3-5,7H2,2H3.
What are the key properties of 1-(cyclohexen-1-yl)ethenyl acetate?
1-(cyclohexen-1-yl)ethenyl acetate has a molecular weight of 166.22 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)ethenyl acetate is sourced from PubChem (CID 12809637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).