cyclohex-2-en-1-yl 3-methylbutanoate

C11H18O2 — CID 3016266

IUPACcyclohex-2-en-1-yl 3-methylbutanoate
SMILESCC(C)CC(=O)OC1C=CCCC1
InChIInChI=1S/C11H18O2/c1-9(2)8-11(12)13-10-6-4-3-5-7-10/h4,6,9-10H,3,5,7-8H2,1-2H3
InChIKeyVTPOVJAZJFDVMX-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.68
Rot. Bonds3

About cyclohex-2-en-1-yl 3-methylbutanoate

cyclohex-2-en-1-yl 3-methylbutanoate (PubChem CID 3016266) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is cyclohex-2-en-1-yl 3-methylbutanoate.

Molecular Properties

Compound Namecyclohex-2-en-1-yl 3-methylbutanoate
PubChem CID3016266
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namecyclohex-2-en-1-yl 3-methylbutanoate
SMILESCC(C)CC(=O)OC1C=CCCC1
InChIInChI=1S/C11H18O2/c1-9(2)8-11(12)13-10-6-4-3-5-7-10/h4,6,9-10H,3,5,7-8H2,1-2H3
InChIKeyVTPOVJAZJFDVMX-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

cyclohex-2-en-1-yl propanoate
CID 10986464
cyclohex-2-en-1-yl acetate;methane
CID 159882311
[(1R)-cyclohept-2-en-1-yl] 2-methylpropanoate
CID 14932680
[(2E)-cyclooct-2-en-1-yl] 3,3-dimethylbutanoate
CID 157293657
[(1R)-cyclohept-2-en-1-yl] acetate
CID 12858459
O-[(1S)-cyclohex-2-en-1-yl] N-propan-2-ylcarbamothioate
CID 101177105
1-cyclohex-2-en-1-yloxyethanol
CID 143838832
cyclohex-2-en-1-yl 3-prop-2-enoyloxypropanoate
CID 142728957
cyclohex-2-en-1-yl prop-2-ynoate
CID 14249454
cyclohept-2-en-1-yl ethyl carbonate
CID 15310932
cyclohex-2-en-1-yl 5-butan-2-yl-2-hydroxybenzoate
CID 170137479
[(2Z)-cyclonon-2-en-1-yl] ethyl carbonate
CID 10856794

Frequently Asked Questions

What is the IUPAC name of cyclohex-2-en-1-yl 3-methylbutanoate?
The IUPAC name of cyclohex-2-en-1-yl 3-methylbutanoate (CID 3016266) is cyclohex-2-en-1-yl 3-methylbutanoate.
What is the SMILES notation for cyclohex-2-en-1-yl 3-methylbutanoate?
The canonical SMILES for cyclohex-2-en-1-yl 3-methylbutanoate is CC(C)CC(=O)OC1C=CCCC1.
What is the InChIKey of cyclohex-2-en-1-yl 3-methylbutanoate?
The InChIKey is VTPOVJAZJFDVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-9(2)8-11(12)13-10-6-4-3-5-7-10/h4,6,9-10H,3,5,7-8H2,1-2H3.
What are the key properties of cyclohex-2-en-1-yl 3-methylbutanoate?
cyclohex-2-en-1-yl 3-methylbutanoate has a molecular weight of 182.26 g/mol, XLogP of 2.68, 3 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 3-methylbutanoate is sourced from PubChem (CID 3016266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).