1-cyclopentyloxyethyl 2-methylprop-2-enoate

C11H18O3 — CID 68973043

IUPAC1-cyclopentyloxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)OC1CCCC1
InChIInChI=1S/C11H18O3/c1-8(2)11(12)14-9(3)13-10-6-4-5-7-10/h9-10H,1,4-7H2,2-3H3
InChIKeyZOETYEOZNMBNJT-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.41
Rot. Bonds4

About 1-cyclopentyloxyethyl 2-methylprop-2-enoate

1-cyclopentyloxyethyl 2-methylprop-2-enoate (PubChem CID 68973043) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-cyclopentyloxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-cyclopentyloxyethyl 2-methylprop-2-enoate
PubChem CID68973043
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name1-cyclopentyloxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)OC1CCCC1
InChIInChI=1S/C11H18O3/c1-8(2)11(12)14-9(3)13-10-6-4-5-7-10/h9-10H,1,4-7H2,2-3H3
InChIKeyZOETYEOZNMBNJT-UHFFFAOYSA-N
XLogP2.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyloxyethyl acetate
CID 58944284
1-cyclohexyloxyethyl acetate
CID 58944366
[cyclohexyl(cyclohexyloxy)methyl] 2-methylprop-2-enoate
CID 118200324
[(5S,7R)-3-[2-(1-cyclohexyloxyethoxy)-2-oxoethyl]-1-adamantyl] 2-methylprop-2-enoate
CID 102589198
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
1-acetyloxyethyl 2-methylprop-2-enoate
CID 18517368
cyclododecyl 2-methylprop-2-enoate;methane
CID 174824208
cyclohexyl 2-methylprop-2-enoate;methanol
CID 67315224
propan-2-yl 2-methylprop-2-enoate
CID 146421311
carbonic acid;cyclohexyl 2-methylprop-2-enoate
CID 89120265
1-cyclohexylsulfonylethyl 2-methylprop-2-enoate
CID 171762763
1-[1-(2-adamantyloxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 19602202

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxyethyl 2-methylprop-2-enoate?
The IUPAC name of 1-cyclopentyloxyethyl 2-methylprop-2-enoate (CID 68973043) is 1-cyclopentyloxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-cyclopentyloxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-cyclopentyloxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)OC1CCCC1.
What is the InChIKey of 1-cyclopentyloxyethyl 2-methylprop-2-enoate?
The InChIKey is ZOETYEOZNMBNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-8(2)11(12)14-9(3)13-10-6-4-5-7-10/h9-10H,1,4-7H2,2-3H3.
What are the key properties of 1-cyclopentyloxyethyl 2-methylprop-2-enoate?
1-cyclopentyloxyethyl 2-methylprop-2-enoate has a molecular weight of 198.26 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 68973043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).