cyclohexen-1-yl 2,2-dimethylpropanoate

C11H18O2 — CID 15416685

IUPACcyclohexen-1-yl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1=CCCCC1
InChIInChI=1S/C11H18O2/c1-11(2,3)10(12)13-9-7-5-4-6-8-9/h7H,4-6,8H2,1-3H3
InChIKeyQOAVURKTPWFILH-UHFFFAOYSA-N
MW182.26 g/mol
LogP3.03
Rot. Bonds1

About cyclohexen-1-yl 2,2-dimethylpropanoate

cyclohexen-1-yl 2,2-dimethylpropanoate (PubChem CID 15416685) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is cyclohexen-1-yl 2,2-dimethylpropanoate.

Molecular Properties

Compound Namecyclohexen-1-yl 2,2-dimethylpropanoate
PubChem CID15416685
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namecyclohexen-1-yl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1=CCCCC1
InChIInChI=1S/C11H18O2/c1-11(2,3)10(12)13-9-7-5-4-6-8-9/h7H,4-6,8H2,1-3H3
InChIKeyQOAVURKTPWFILH-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl 2,2-dimethylpropanoate?
The IUPAC name of cyclohexen-1-yl 2,2-dimethylpropanoate (CID 15416685) is cyclohexen-1-yl 2,2-dimethylpropanoate.
What is the SMILES notation for cyclohexen-1-yl 2,2-dimethylpropanoate?
The canonical SMILES for cyclohexen-1-yl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC1=CCCCC1.
What is the InChIKey of cyclohexen-1-yl 2,2-dimethylpropanoate?
The InChIKey is QOAVURKTPWFILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-11(2,3)10(12)13-9-7-5-4-6-8-9/h7H,4-6,8H2,1-3H3.
What are the key properties of cyclohexen-1-yl 2,2-dimethylpropanoate?
cyclohexen-1-yl 2,2-dimethylpropanoate has a molecular weight of 182.26 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl 2,2-dimethylpropanoate is sourced from PubChem (CID 15416685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).