cyclohexyloxycarbonyl 2-methylprop-2-enoate

C11H16O4 — CID 156840126

IUPACcyclohexyloxycarbonyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(=O)OC1CCCCC1
InChIInChI=1S/C11H16O4/c1-8(2)10(12)15-11(13)14-9-6-4-3-5-7-9/h9H,1,3-7H2,2H3
InChIKeyKZRLIECOSSHIFS-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.58
Rot. Bonds2

About cyclohexyloxycarbonyl 2-methylprop-2-enoate

cyclohexyloxycarbonyl 2-methylprop-2-enoate (PubChem CID 156840126) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is cyclohexyloxycarbonyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namecyclohexyloxycarbonyl 2-methylprop-2-enoate
PubChem CID156840126
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Namecyclohexyloxycarbonyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(=O)OC1CCCCC1
InChIInChI=1S/C11H16O4/c1-8(2)10(12)15-11(13)14-9-6-4-3-5-7-9/h9H,1,3-7H2,2H3
InChIKeyKZRLIECOSSHIFS-UHFFFAOYSA-N
XLogP2.58
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
cyclododecyl 2-methylprop-2-enoate;methane
CID 174824208
cyclohexyl 2-methylprop-2-enoate;methanol
CID 67315224
carbonic acid;cyclohexyl 2-methylprop-2-enoate
CID 89120265
cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enamide
CID 174857281
butane-2,2-diol;cyclohexyl 2-methylprop-2-enoate
CID 174949119
dicyclononyl carbonate
CID 139618210
cyclopentyl acetate;methyl 2-methylprop-2-enoate
CID 174985649
cyclododecyl 2-methylidenebutanoate
CID 57244431
bis(2-methylprop-2-enoyl) cyclohexane-1,2-dicarboxylate
CID 87249059
[4-[4-(2-methylprop-2-enoyloxy)cyclohexyl]cycloheptyl] 2-methylprop-2-enoate
CID 126595758
cyclohexyl prop-2-enoate;2-methylprop-1-ene
CID 174895643

Frequently Asked Questions

What is the IUPAC name of cyclohexyloxycarbonyl 2-methylprop-2-enoate?
The IUPAC name of cyclohexyloxycarbonyl 2-methylprop-2-enoate (CID 156840126) is cyclohexyloxycarbonyl 2-methylprop-2-enoate.
What is the SMILES notation for cyclohexyloxycarbonyl 2-methylprop-2-enoate?
The canonical SMILES for cyclohexyloxycarbonyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyloxycarbonyl 2-methylprop-2-enoate?
The InChIKey is KZRLIECOSSHIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-8(2)10(12)15-11(13)14-9-6-4-3-5-7-9/h9H,1,3-7H2,2H3.
What are the key properties of cyclohexyloxycarbonyl 2-methylprop-2-enoate?
cyclohexyloxycarbonyl 2-methylprop-2-enoate has a molecular weight of 212.24 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyloxycarbonyl 2-methylprop-2-enoate is sourced from PubChem (CID 156840126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).