prop-2-enyl 3-cyclohexylpropanoate

C12H20O2 — CID 17617

IUPACprop-2-enyl 3-cyclohexylpropanoate
SMILESC=CCOC(=O)CCC1CCCCC1
InChIInChI=1S/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2,11H,1,3-10H2
InChIKeyTWXUTZNBHUWMKJ-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.08
Rot. Bonds5

About prop-2-enyl 3-cyclohexylpropanoate

prop-2-enyl 3-cyclohexylpropanoate (PubChem CID 17617) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is prop-2-enyl 3-cyclohexylpropanoate.

Molecular Properties

Compound Nameprop-2-enyl 3-cyclohexylpropanoate
PubChem CID17617
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Nameprop-2-enyl 3-cyclohexylpropanoate
SMILESC=CCOC(=O)CCC1CCCCC1
InChIInChI=1S/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2,11H,1,3-10H2
InChIKeyTWXUTZNBHUWMKJ-UHFFFAOYSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.08
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 prop-2-enyl 3-cyclohexylpropanoate?
The IUPAC name of prop-2-enyl 3-cyclohexylpropanoate (CID 17617) is prop-2-enyl 3-cyclohexylpropanoate.
What is the SMILES notation for prop-2-enyl 3-cyclohexylpropanoate?
The canonical SMILES for prop-2-enyl 3-cyclohexylpropanoate is C=CCOC(=O)CCC1CCCCC1.
What is the InChIKey of prop-2-enyl 3-cyclohexylpropanoate?
The InChIKey is TWXUTZNBHUWMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2,11H,1,3-10H2.
What are the key properties of prop-2-enyl 3-cyclohexylpropanoate?
prop-2-enyl 3-cyclohexylpropanoate has a molecular weight of 196.29 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-cyclohexylpropanoate is sourced from PubChem (CID 17617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).