cyclohex-2-en-1-yl hexanoate

C12H20O2 — CID 139108915

IUPACcyclohex-2-en-1-yl hexanoate
SMILESCCCCCC(=O)OC1C=CCCC1
InChIInChI=1S/C12H20O2/c1-2-3-5-10-12(13)14-11-8-6-4-7-9-11/h6,8,11H,2-5,7,9-10H2,1H3
InChIKeyJFUUONWYGOKZLU-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.22
Rot. Bonds5

About cyclohex-2-en-1-yl hexanoate

cyclohex-2-en-1-yl hexanoate (PubChem CID 139108915) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is cyclohex-2-en-1-yl hexanoate.

Molecular Properties

Compound Namecyclohex-2-en-1-yl hexanoate
PubChem CID139108915
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Namecyclohex-2-en-1-yl hexanoate
SMILESCCCCCC(=O)OC1C=CCCC1
InChIInChI=1S/C12H20O2/c1-2-3-5-10-12(13)14-11-8-6-4-7-9-11/h6,8,11H,2-5,7,9-10H2,1H3
InChIKeyJFUUONWYGOKZLU-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohex-2-en-1-yl hexanoate?
The IUPAC name of cyclohex-2-en-1-yl hexanoate (CID 139108915) is cyclohex-2-en-1-yl hexanoate.
What is the SMILES notation for cyclohex-2-en-1-yl hexanoate?
The canonical SMILES for cyclohex-2-en-1-yl hexanoate is CCCCCC(=O)OC1C=CCCC1.
What is the InChIKey of cyclohex-2-en-1-yl hexanoate?
The InChIKey is JFUUONWYGOKZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-3-5-10-12(13)14-11-8-6-4-7-9-11/h6,8,11H,2-5,7,9-10H2,1H3.
What are the key properties of cyclohex-2-en-1-yl hexanoate?
cyclohex-2-en-1-yl hexanoate has a molecular weight of 196.29 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-yl hexanoate is sourced from PubChem (CID 139108915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).