prop-2-enyl 2-cyclohexylacetate

C11H18O2 — CID 22034852

IUPACprop-2-enyl 2-cyclohexylacetate
SMILESC=CCOC(=O)CC1CCCCC1
InChIInChI=1S/C11H18O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h2,10H,1,3-9H2
InChIKeyUECFOOSFSUDPOR-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.69
Rot. Bonds4

About prop-2-enyl 2-cyclohexylacetate

prop-2-enyl 2-cyclohexylacetate (PubChem CID 22034852) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is prop-2-enyl 2-cyclohexylacetate.

Molecular Properties

Compound Nameprop-2-enyl 2-cyclohexylacetate
PubChem CID22034852
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nameprop-2-enyl 2-cyclohexylacetate
SMILESC=CCOC(=O)CC1CCCCC1
InChIInChI=1S/C11H18O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h2,10H,1,3-9H2
InChIKeyUECFOOSFSUDPOR-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.69
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 2-cyclohexylacetate?
The IUPAC name of prop-2-enyl 2-cyclohexylacetate (CID 22034852) is prop-2-enyl 2-cyclohexylacetate.
What is the SMILES notation for prop-2-enyl 2-cyclohexylacetate?
The canonical SMILES for prop-2-enyl 2-cyclohexylacetate is C=CCOC(=O)CC1CCCCC1.
What is the InChIKey of prop-2-enyl 2-cyclohexylacetate?
The InChIKey is UECFOOSFSUDPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h2,10H,1,3-9H2.
What are the key properties of prop-2-enyl 2-cyclohexylacetate?
prop-2-enyl 2-cyclohexylacetate has a molecular weight of 182.26 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-cyclohexylacetate is sourced from PubChem (CID 22034852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).