methyl 2-cyclohex-2-en-1-yl-2-methylpropanoate

C11H18O2 — CID 13096503

IUPACmethyl 2-cyclohex-2-en-1-yl-2-methylpropanoate
SMILESCOC(=O)C(C)(C)C1C=CCCC1
InChIInChI=1S/C11H18O2/c1-11(2,10(12)13-3)9-7-5-4-6-8-9/h5,7,9H,4,6,8H2,1-3H3
InChIKeyMUHIICPQLAGGQM-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.54
Rot. Bonds2

About methyl 2-cyclohex-2-en-1-yl-2-methylpropanoate

methyl 2-cyclohex-2-en-1-yl-2-methylpropanoate (PubChem CID 13096503) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is methyl 2-cyclohex-2-en-1-yl-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-cyclohex-2-en-1-yl-2-methylpropanoate
PubChem CID13096503
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namemethyl 2-cyclohex-2-en-1-yl-2-methylpropanoate
SMILESCOC(=O)C(C)(C)C1C=CCCC1
InChIInChI=1S/C11H18O2/c1-11(2,10(12)13-3)9-7-5-4-6-8-9/h5,7,9H,4,6,8H2,1-3H3
InChIKeyMUHIICPQLAGGQM-UHFFFAOYSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.54
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

Diisostearyl Dimer Dilinoleate
CID 71587394
Butyloctyl Oleate
CID 71587487
Ethyl 2-ethyl-6,6-dimethylcyclohex-2-ene-1-carboxylate
CID 93847
3-Cyclohexene-1-carboxylic acid, 1,4-dimethyl-, methyl ester
CID 100881
2-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester
CID 119800
Ethyl 2,3,6,6-tetramethylcyclohex-2-ene-1-carboxylate
CID 166500
3-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester
CID 12082921
Methyl 1-methyl-3-(4-methyl-3-pentenyl)-3-cyclohexene-1-carboxylate
CID 103426
2-Cyclohexene-1-carboxylic acid, 2-ethyl-3,6,6-trimethyl-, ethyl ester
CID 20236378
3-Cyclohexene-1-carboxylic acid, 1-methyl-4-(4-methyl-3-penten-1-yl)-, methyl ester
CID 89480
Methyl 2-(cyclohex-2-en-1-yl)acetate
CID 557150
Methyl 1-methyl-4-(1-methylethyl)bicyclo(2.2.2)oct-5-ene-2-carboxylate
CID 106713

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclohex-2-en-1-yl-2-methylpropanoate?
The IUPAC name of methyl 2-cyclohex-2-en-1-yl-2-methylpropanoate (CID 13096503) is methyl 2-cyclohex-2-en-1-yl-2-methylpropanoate.
What is the SMILES notation for methyl 2-cyclohex-2-en-1-yl-2-methylpropanoate?
The canonical SMILES for methyl 2-cyclohex-2-en-1-yl-2-methylpropanoate is COC(=O)C(C)(C)C1C=CCCC1.
What is the InChIKey of methyl 2-cyclohex-2-en-1-yl-2-methylpropanoate?
The InChIKey is MUHIICPQLAGGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-11(2,10(12)13-3)9-7-5-4-6-8-9/h5,7,9H,4,6,8H2,1-3H3.
What are the key properties of methyl 2-cyclohex-2-en-1-yl-2-methylpropanoate?
methyl 2-cyclohex-2-en-1-yl-2-methylpropanoate has a molecular weight of 182.26 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclohex-2-en-1-yl-2-methylpropanoate is sourced from PubChem (CID 13096503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).