2-(4-prop-1-en-2-ylcyclohexen-1-yl)ethyl acetate

C13H20O2 — CID 15225986

IUPAC2-(4-prop-1-en-2-ylcyclohexen-1-yl)ethyl acetate
SMILESC=C(C)C1CC=C(CCOC(C)=O)CC1
InChIInChI=1S/C13H20O2/c1-10(2)13-6-4-12(5-7-13)8-9-15-11(3)14/h4,13H,1,5-9H2,2-3H3
InChIKeyFGVBYIFVNDDCNG-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.24
Rot. Bonds4

About 2-(4-prop-1-en-2-ylcyclohexen-1-yl)ethyl acetate

2-(4-prop-1-en-2-ylcyclohexen-1-yl)ethyl acetate (PubChem CID 15225986) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(4-prop-1-en-2-ylcyclohexen-1-yl)ethyl acetate.

Molecular Properties

Compound Name2-(4-prop-1-en-2-ylcyclohexen-1-yl)ethyl acetate
PubChem CID15225986
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-(4-prop-1-en-2-ylcyclohexen-1-yl)ethyl acetate
SMILESC=C(C)C1CC=C(CCOC(C)=O)CC1
InChIInChI=1S/C13H20O2/c1-10(2)13-6-4-12(5-7-13)8-9-15-11(3)14/h4,13H,1,5-9H2,2-3H3
InChIKeyFGVBYIFVNDDCNG-UHFFFAOYSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.24
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 2-(4-prop-1-en-2-ylcyclohexen-1-yl)ethyl acetate?
The IUPAC name of 2-(4-prop-1-en-2-ylcyclohexen-1-yl)ethyl acetate (CID 15225986) is 2-(4-prop-1-en-2-ylcyclohexen-1-yl)ethyl acetate.
What is the SMILES notation for 2-(4-prop-1-en-2-ylcyclohexen-1-yl)ethyl acetate?
The canonical SMILES for 2-(4-prop-1-en-2-ylcyclohexen-1-yl)ethyl acetate is C=C(C)C1CC=C(CCOC(C)=O)CC1.
What is the InChIKey of 2-(4-prop-1-en-2-ylcyclohexen-1-yl)ethyl acetate?
The InChIKey is FGVBYIFVNDDCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-10(2)13-6-4-12(5-7-13)8-9-15-11(3)14/h4,13H,1,5-9H2,2-3H3.
What are the key properties of 2-(4-prop-1-en-2-ylcyclohexen-1-yl)ethyl acetate?
2-(4-prop-1-en-2-ylcyclohexen-1-yl)ethyl acetate has a molecular weight of 208.30 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-prop-1-en-2-ylcyclohexen-1-yl)ethyl acetate is sourced from PubChem (CID 15225986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).