cyclohex-2-en-1-yl 2,2-dimethylpropanoate

C11H18O2 — CID 11030452

IUPACcyclohex-2-en-1-yl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1C=CCCC1
InChIInChI=1S/C11H18O2/c1-11(2,3)10(12)13-9-7-5-4-6-8-9/h5,7,9H,4,6,8H2,1-3H3
InChIKeySBZDFUXHHREQBL-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.68
Rot. Bonds1

About cyclohex-2-en-1-yl 2,2-dimethylpropanoate

cyclohex-2-en-1-yl 2,2-dimethylpropanoate (PubChem CID 11030452) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is cyclohex-2-en-1-yl 2,2-dimethylpropanoate.

Molecular Properties

Compound Namecyclohex-2-en-1-yl 2,2-dimethylpropanoate
PubChem CID11030452
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namecyclohex-2-en-1-yl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1C=CCCC1
InChIInChI=1S/C11H18O2/c1-11(2,3)10(12)13-9-7-5-4-6-8-9/h5,7,9H,4,6,8H2,1-3H3
InChIKeySBZDFUXHHREQBL-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.68
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 cyclohex-2-en-1-yl 2,2-dimethylpropanoate?
The IUPAC name of cyclohex-2-en-1-yl 2,2-dimethylpropanoate (CID 11030452) is cyclohex-2-en-1-yl 2,2-dimethylpropanoate.
What is the SMILES notation for cyclohex-2-en-1-yl 2,2-dimethylpropanoate?
The canonical SMILES for cyclohex-2-en-1-yl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC1C=CCCC1.
What is the InChIKey of cyclohex-2-en-1-yl 2,2-dimethylpropanoate?
The InChIKey is SBZDFUXHHREQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-11(2,3)10(12)13-9-7-5-4-6-8-9/h5,7,9H,4,6,8H2,1-3H3.
What are the key properties of cyclohex-2-en-1-yl 2,2-dimethylpropanoate?
cyclohex-2-en-1-yl 2,2-dimethylpropanoate has a molecular weight of 182.26 g/mol, XLogP of 2.68, 1 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 2,2-dimethylpropanoate is sourced from PubChem (CID 11030452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).