2-methylprop-2-enyl cyclohexanecarboxylate

C11H18O2 — CID 18622419

IUPAC2-methylprop-2-enyl cyclohexanecarboxylate
SMILESC=C(C)COC(=O)C1CCCCC1
InChIInChI=1S/C11H18O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h10H,1,3-8H2,2H3
InChIKeyUEVIGPSIDMQLQT-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.69
Rot. Bonds3

About 2-methylprop-2-enyl cyclohexanecarboxylate

2-methylprop-2-enyl cyclohexanecarboxylate (PubChem CID 18622419) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-methylprop-2-enyl cyclohexanecarboxylate.

Molecular Properties

Compound Name2-methylprop-2-enyl cyclohexanecarboxylate
PubChem CID18622419
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-methylprop-2-enyl cyclohexanecarboxylate
SMILESC=C(C)COC(=O)C1CCCCC1
InChIInChI=1S/C11H18O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h10H,1,3-8H2,2H3
InChIKeyUEVIGPSIDMQLQT-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
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

2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enyl cyclohexanecarboxylate
CID 121403038
2-methylprop-2-enyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate
CID 12000687
ethyl cyclohexanecarboxylate;hydrochloride
CID 68985516
prop-2-enyl cyclododecanecarboxylate
CID 139624721
[2-(azepan-1-yl)-2-oxoethyl] cyclohexanecarboxylate
CID 78759962
bis(2-methylprop-2-enyl) bicyclo[2.2.1]heptane-2,5-dicarboxylate
CID 139939081
[2-[2-(dimethylamino)ethoxy]-2-oxoethyl] cyclohexanecarboxylate
CID 167159691
2-aminoethyl cyclohexanecarboxylate;hydrochloride
CID 67519694
2-(cyclohexanecarbonyloxymethyl)butyl cyclohexanecarboxylate
CID 71034166
2,2-bis(cyclohexanecarbonyloxymethyl)butyl cyclohexanecarboxylate
CID 15607732
[2-(azepan-1-yl)-2-oxoethyl] 1-acetylpiperidine-4-carboxylate
CID 78763820
[2-(acetyloxymethyl)-2-(cyclohexanecarbonyloxymethyl)butyl] cyclohexanecarboxylate
CID 20870650

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enyl cyclohexanecarboxylate?
The IUPAC name of 2-methylprop-2-enyl cyclohexanecarboxylate (CID 18622419) is 2-methylprop-2-enyl cyclohexanecarboxylate.
What is the SMILES notation for 2-methylprop-2-enyl cyclohexanecarboxylate?
The canonical SMILES for 2-methylprop-2-enyl cyclohexanecarboxylate is C=C(C)COC(=O)C1CCCCC1.
What is the InChIKey of 2-methylprop-2-enyl cyclohexanecarboxylate?
The InChIKey is UEVIGPSIDMQLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h10H,1,3-8H2,2H3.
What are the key properties of 2-methylprop-2-enyl cyclohexanecarboxylate?
2-methylprop-2-enyl cyclohexanecarboxylate has a molecular weight of 182.26 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enyl cyclohexanecarboxylate is sourced from PubChem (CID 18622419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).